Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1448848

CCCCN(C(=O)NC1CCC(=O)CC1)C1CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1.Cl

nearest known ligand 0.48

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
CCR5 known ✓ P51681 6/20 0.48
OPRM1 known ✓ P35372 1/20 0.39
OPRD1 known ✓ P41143 1/20 0.39
OPRK1 known ✓ P41145 1/20 0.39
KCNH2 known ✓ Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PTBP1 P26599 1/20 0.40
LTA4H P09960 3/20 0.40
GPR119 Q8TDV5 1/20 0.38
PRKAA2 P54646 1/20 0.37

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 SCHEMBL1450171 0.94 CCR5 (0.49) CCR5MCHR1ALDH1A1LMNAPTBP1
Hydrochloric Acid SCHEMBL1449263 0.93 CCR5 (0.51) CCR5MCHR1ALDH1A1LMNAPTBP1
Hydrochloric Acid SCHEMBL1449664 0.93 CCR5 (0.49) CCR5MCHR1ALDH1A1LMNAPTBP1
Hydrochloric Acid SCHEMBL1448812 0.92 CCR5 (0.52) CCR5MCHR1ALDH1A1LMNAPTBP1
Hydrochloric Acid SCHEMBL1449291 0.92 CCR5 (0.52) CCR5MCHR1ALDH1A1LMNAPTBP1
Hydrochloric Acid SCHEMBL1448795 0.91 CCR5 (0.47) CCR5MCHR1ALDH1A1LMNAPTBP1
Hydrochloric Acid SCHEMBL1449301 0.91 CCR5 (0.46) CCR5MCHR1ALDH1A1LMNAPTBP1
Hydrochloric Acid SCHEMBL1449730 0.91 CCR5 (0.48) CCR5MCHR1ALDH1A1LMNAPTBP1
Hydrochloric Acid SCHEMBL1449273 0.90 CCR5 (0.47) CCR5MCHR1ALDH1A1LMNAPTBP1
Hydrochloric Acid SCHEMBL1448917 0.90 CCR5 (0.52) CCR5MCHR1LTA4HPRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150087720-A1 Dosage Regimen of an S1P Receptor Agonist NOVARTIS AG (CH) 2015-03-26 US claimed
US-20090275553-A1 DOSAGE REGIMEN OF AN S1P RECEPTOR AGONIST KOVARIK JOHN M 2009-11-05 US claimed
US-20080221200-A1 Combination of Organic Compounds ALLISON MALCOLM 2008-09-11 US claimed
EP-1940388-A2 DPP IV INHIBTOR FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AND GRAFT REJECTION Novartis AG (CH) 2008-07-09 EP claimed
WO-2007041368-A2 DPP IV INHIBITOR FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AND GRAFT REJECTION NOVARTIS AG (CH) 2007-04-12 WO claimed
US-20220031609-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2022-02-03 US disclosed
US-20200237690-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2020-07-30 US disclosed
US-20190175527-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2019-06-13 US disclosed
US-20170290787-A1 Organic Compounds NOVARTIS AG (CH) 2017-10-12 US disclosed
US-20160101179-A1 COMPOUND FORMULATIONS OF 2-AMINO-1, 3-PROPANEDIOL COMPOUNDS BURANACHOKPAISAN THITIWAN (US) 2016-04-14 US disclosed
EP-2316431-B1 Solid oral composition comprising a S1P receptor agonist and a sugar alcohol NOVARTIS AG (CH) 2015-09-30 EP disclosed
US-20150087720-A1 Dosage Regimen of an S1P Receptor Agonist NOVARTIS AG (CH) 2015-03-26 US disclosed
US-20050215531-A1 Use of edg receptor binding agents in cancer BAUMRUKER THOMAS 2005-09-29 US disclosed
EP-1575576-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2005-09-21 EP disclosed
WO-2005058295-A2 USE OF SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONISTS FOR THE TREATMENT OF BRAIN DEGENERATIVE DISEASES NOVARTIS AG (CH) 2005-06-30 WO disclosed
EP-1505959-A1 USE OF EDG RECEPTOR BINDING AGENTS IN CANCER Novartis AG (CH) 2005-02-16 EP disclosed
WO-2004089341-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2004-10-21 WO disclosed
WO-2004028521-A2 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS IN THE TREATMENT OF DEMYELINATING DISORDERS NOVARTIS AG (CH) 2004-04-08 WO disclosed
WO-2004010987-A2 USE OF S1P RECEPTOR AGONISTS IN HEART DISEASES NOVARTIS AG (CH) 2004-02-05 WO disclosed
WO-2003097028-A1 USE OF EDG RECEPTOR BINDING AGENTS IN CANCER NOVARTIS AG (CH) 2003-11-27 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 (9 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-20190175527-A1 ORGANIC COMPOUNDS GPR119, OPRM1, FFAR1 CCR5 622/4885OPRM1 2/4885OPRD1 13/4885
US-20050215531-A1 Use of edg receptor binding agents in cancer S1PR3, S1PR1, S1PR4 CCR5 182/4885OPRM1 1488/4885OPRD1 1814/4885
US-20080221200-A1 Combination of Organic Compounds DPP4, DPP3, DPP7 CCR5 704/4885OPRM1 2741/4885OPRD1 1690/4885
US-20220031609-A1 ORGANIC COMPOUNDS GPR119, OPRM1, FFAR1 CCR5 622/4885OPRM1 2/4885OPRD1 13/4885
US-20090275553-A1 DOSAGE REGIMEN OF AN S1P RECEPTOR AGONIST S1PR1, S1PR2, S1PR4 CCR5 142/4885OPRM1 374/4885OPRD1 209/4885
US-20150087720-A1 Dosage Regimen of an S1P Receptor Agonist S1PR1, S1PR2, S1PR4 CCR5 142/4885OPRM1 374/4885OPRD1 209/4885
US-20170290787-A1 Organic Compounds GPR119, OPRM1, FFAR1 CCR5 622/4885OPRM1 2/4885OPRD1 13/4885
US-20160101179-A1 COMPOUND FORMULATIONS OF 2-AMINO-1, 3-PROPANEDIOL COMPOUNDS ACMSD, AASDHPPT, DDC CCR5 1622/4885OPRM1 757/4885OPRD1 136/4885
US-20200237690-A1 ORGANIC COMPOUNDS GPR119, OPRM1, FFAR1 CCR5 622/4885OPRM1 2/4885OPRD1 13/4885

“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.