Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2016839

COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n([C@H]3CC[C@H](C(=O)O)CC3)c12.Cl

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B known ✓ Q07343 4/20 0.98
PDE4D known ✓ Q08499 4/20 0.98
TNF P01375 19/20 0.98
LITAF Q99732 19/20 0.98

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL2015403 1.00 TNF (0.98) TNFLITAFPDE4BPDE4D
Hydrochloric Acid SCHEMBL2015401 1.00 TNF (0.98) TNFLITAFPDE4BPDE4D
SCHEMBL2016365 0.99 TNF (1.00) TNFLITAFPDE4BPDE4D
SCHEMBL2016363 0.99 TNF (1.00) TNFLITAFPDE4BPDE4D
SCHEMBL2018501 0.99 TNF (1.00) TNFLITAFPDE4BPDE4D
Hydrochloric Acid SCHEMBL29384439 0.93 TNF (0.86) TNFLITAFPDE4BPDE4D
SCHEMBL24164518 0.93 TNF (0.88) TNFLITAFPDE4BPDE4D
SCHEMBL31355049 0.93 TNF (0.88) TNFLITAFPDE4BPDE4D
SCHEMBL29381799 0.93 TNF (0.88) TNFLITAFPDE4BPDE4D
SCHEMBL29514464 0.93 TNF (0.88) TNFLITAFPDE4BPDE4D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10568888-B2 Tricyclic compounds as modulators of TNF-alpha synthesis and as PDE4 inhibitors VTV THERAPEUTICS LLC (US) 2020-02-25 US disclosed
US-20190336506-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS HIGH POINT PHARMACEUTICALS, LLC 2019-11-07 US disclosed
US-10391097-B2 Tricyclic compounds as modulators of TNF-alpha synthesis and as PDE4 inhibitors VTV THERAPEUTICS LLC (US) 2019-08-27 US disclosed
US-20180360839-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS TRANSTECH PHARMA, INC. 2018-12-20 US disclosed
US-10085990-B2 Tricyclic compounds as modulators of TNF-α synthesis and as PDE4 inhibitors VTV THERAPEUTICS LLC (US) 2018-10-02 US disclosed
US-20180071297-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS VTV THERAPEUTICS LLC 2018-03-15 US disclosed
US-9833457-B2 Tricyclic compounds as modulators of TNF-α synthesis and as PDE4 inhibitors VTV THERAPEUTICS LLC (US) 2017-12-05 US disclosed
US-20170252343-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS VTV THERAPEUTICS LLC 2017-09-07 US disclosed
US-9687489-B2 Tricyclic compounds as modulators of TNF-α synthesis and as PDE4 inhibitors VTV THERAPEUTICS LLC (US) 2017-06-27 US disclosed
US-20160296526-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS VTV THERAPEUTICS LLC 2016-10-13 US disclosed
US-20150374700-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS VTV THERAPEUTICS LLC 2015-12-31 US disclosed
US-9163022-B2 Tricyclic compounds as modulators of TNF-α synthesis and as PDE4 inhibitors VTV THERAPEUTICS LLC (US) 2015-10-20 US disclosed
US-20140371250-A1 Tricyclic Compounds as Modulators of TNF-alpha Synthesis and as PDE4 Inhibitors VTV THERAPEUTICS LLC 2014-12-18 US disclosed
US-8853226-B2 Tricyclic compounds as modulators of TNF-α synthesis and as PDE4 inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-10-07 US disclosed
EP-2244574-B1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF- SYNTHESIS AND AS PDE4 INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2014-10-01 EP disclosed
US-8329715-B2 Tricyclic compounds as modulators of TNF-α synthesis and as PDE4 inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2012-12-11 US disclosed
US-20120172381-A1 Tricyclic Compounds as Modulators of TNF-alpha Synthesis and as PDE4 Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2012-07-05 US disclosed
US-20110160234-A1 Tricyclic Compounds as Modulators of TNF-alpha Synthesis and as PDE4 Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-06-30 US disclosed
US-7964608-B2 Tricyclic compounds as modulators of TNF-α synthesis HIGH POINT PHARMACEUTICALS, LLC (US) 2011-06-21 US disclosed
US-20100190808-A1 Tricyclic Compounds As Modulators of TNF-alpha Synthesis HIGH POINT PHARMACEUTICALS, LLC. (US) 2010-07-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140371250-A1 Tricyclic Compounds as Modulators of TNF-alpha Synthesis and as PDE4 Inhibitors PDE4A, PDE4B, TNF PDE4B 2/4885PDE4D 5/4885TNF 3/4885
US-20150374700-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS PDE4A, PDE4B, TNF PDE4B 2/4885PDE4D 5/4885TNF 3/4885
US-20190336506-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS PDE4A, PDE4B, TNF PDE4B 2/4885PDE4D 5/4885TNF 3/4885
US-20180360839-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4D 6/4885TNF 4/4885
US-20100190808-A1 Tricyclic Compounds As Modulators of TNF-alpha Synthesis TNF, PDE4A, PDE4B PDE4B 3/4885PDE4D 6/4885TNF 1/4885
US-10568888-B2 Tricyclic compounds as modulators of TNF-alpha synthesis and as PDE4 inhibitors PDE4A, PDE4B, TNF PDE4B 2/4885PDE4D 5/4885TNF 3/4885
US-20110160234-A1 Tricyclic Compounds as Modulators of TNF-alpha Synthesis and as PDE4 Inhibitors PDE4A, PDE4B, TNF PDE4B 2/4885PDE4D 5/4885TNF 3/4885
US-20120172381-A1 Tricyclic Compounds as Modulators of TNF-alpha Synthesis and as PDE4 Inhibitors PDE4A, PDE4B, TNF PDE4B 2/4885PDE4D 5/4885TNF 3/4885
US-20180071297-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4D 6/4885TNF 4/4885
US-10085990-B2 Tricyclic compounds as modulators of TNF-α synthesis and as PDE4 inhibitors PDE4A, TNF, PDE4B PDE4B 3/4885PDE4D 6/4885TNF 2/4885
US-10391097-B2 Tricyclic compounds as modulators of TNF-alpha synthesis and as PDE4 inhibitors PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4D 6/4885TNF 4/4885
US-20170252343-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS TNF, PDE4A, PDE4B PDE4B 3/4885PDE4D 5/4885TNF 1/4885
US-20160296526-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS PDE4A, TNF, PDE4B PDE4B 3/4885PDE4D 5/4885TNF 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.