Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1222196

Cl.Cn1c(=O)n(CC(=O)c2ccccc2)c(=O)c2c1nc(N1CCC3CNCC31)n2Cc1ccccc1

nearest known ligand 0.80

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 12)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 13/20 0.80
CHRM1 known ✓ P11229 4/20 0.53
CHRM2 known ✓ P08172 1/20 0.53
CHRM3 known ✓ P20309 1/20 0.53
KCNH2 known ✓ Q12809 1/20 0.53
HIF1A Q16665 1/20 0.56
LMNA P02545 2/20 0.52
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49

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 SCHEMBL1222206 0.93 DPP4 (0.81) DPP4HIF1ACHRM1CHRM2CHRM3
Hydrochloric Acid SCHEMBL1223313 0.91 DPP4 (0.79) DPP4HIF1ACHRM1CHRM2CHRM3
Hydrochloric Acid SCHEMBL1224146 0.91 DPP4 (0.74) DPP4HIF1ACHRM1CHRM2CHRM3
Hydrochloric Acid SCHEMBL1223046 0.90 DPP4 (0.77) DPP4HIF1ACHRM1CHRM2CHRM3
Hydrochloric Acid SCHEMBL1223061 0.90 DPP4 (0.77) DPP4HIF1ACHRM1CHRM2CHRM3
Hydrochloric Acid SCHEMBL1223118 0.90 DPP4 (0.77) DPP4HIF1ACHRM1CHRM2CHRM3
Hydrochloric Acid SCHEMBL1222931 0.90 DPP4 (0.98) DPP4CHRM1CHRM2CHRM3KCNH2
Hydrochloric Acid SCHEMBL1222930 0.90 DPP4 (0.98) DPP4CHRM1CHRM2CHRM3KCNH2
Hydrochloric Acid SCHEMBL1223627 0.89 DPP4 (0.76) DPP4HIF1ACHRM1CHRM2CHRM3
Hydrochloric Acid SCHEMBL1223923 0.88 DPP4 (0.75) DPP4HIF1ACHRM1CHRM2CHRM3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888343-B2 Substituted, bicyclic 8-pyrrolidinoxanthines, and methods for their use as inhibitors of dipeptidyl peptidase Sanofi-A Ventis Deutschland GmbH (DE) 2011-02-15 US disclosed
US-20070197563-A1 SUBSTITUTED, BICYCLIC 8-PYRROLIDINOXANTHINES, AND METHODS FOR THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
EP-1778697-A1 SUBSTITUTED BICYCLIC 8-PYRROLIDINO-XANTHINES AND USE THEREOF AS INHIBITORS OF THE DIPEPTIDYL PEPTIDASE IV Sanofi-Aventis Deutschland GmbH (DE) 2007-05-02 EP disclosed
WO-2006015699-A1 SUBSTITUTED BICYCLIC 8-PYRROLIDINO-XANTHINES AND USE THEREOF AS INHIBITORS OF THE DIPEPTIDYL PEPTIDASE IV SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-02-16 WO 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 (1 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-20070197563-A1 SUBSTITUTED, BICYCLIC 8-PYRROLIDINOXANTHINES, AND METHODS FOR THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE DPP8, DPP7, DPP4 DPP4 3/4885CHRM1 4838/4885CHRM2 4723/4885

“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.