Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2240337

CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 20)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 11/20 1.00
CHRM2 known ✓ P08172 1/20 1.00
CHRM4 known ✓ P08173 1/20 1.00
ADRA2A known ✓ P08913 1/20 1.00
CHRM1 known ✓ P11229 1/20 1.00
ADRB3 known ✓ P13945 1/20 1.00
ADRA2B known ✓ P18089 1/20 1.00
S1PR1 known ✓ P21453 1/20 1.00
ADRA1D known ✓ P25100 1/20 1.00
HTR1D known ✓ P28221 1/20 1.00
HTR2A known ✓ P28223 1/20 1.00
HTR2C known ✓ P28335 1/20 1.00
AGTR1 known ✓ P30556 1/20 1.00
ADRA1B known ✓ P35368 1/20 1.00
HTR2B known ✓ P41595 1/20 1.00
HTR5A known ✓ P47898 1/20 1.00
SIGMAR1 known ✓ Q99720 1/20 1.00
OPRK1 known ✓ P41145 10/20 0.98
OPRD1 known ✓ P41143 1/20 0.98
HDAC6 known ✓ Q9UBN7 1/20 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 SCHEMBL31621908 1.00 OPRM1 (1.00) OPRM1CHRM2CHRM4ADRA2ACHRM1
Hydrochloric Acid SCHEMBL4913782 0.99 OPRM1 (0.98) OPRM1CHRM2CHRM4ADRA2ACHRM1
SCHEMBL29519900 0.99 OPRL1 (1.00) OPRM1CHRM2CHRM4ADRA2ACHRM1
SCHEMBL4916443 0.99 OPRL1 (1.00) OPRM1CHRM2CHRM4ADRA2ACHRM1
SCHEMBL31237285 0.99 OPRL1 (1.00) OPRM1CHRM2CHRM4ADRA2ACHRM1
Hydrochloric Acid SCHEMBL4918935 0.93 OPRM1 (0.87) OPRM1CHRM2CHRM4ADRA2ACHRM1
Hydrochloric Acid SCHEMBL4909856 0.93 OPRM1 (0.87) OPRM1CHRM2CHRM4ADRA2ACHRM1
Hydrochloric Acid SCHEMBL4911001 0.93 OPRL1 (0.98) OPRM1CHRM2CHRM4ADRA2ACHRM1
Hydrochloric Acid SCHEMBL4920232 0.92 OPRL1 (0.98) OPRM1CHRM2CHRM4ADRA2ACHRM1
Hydrochloric Acid SCHEMBL4918400 0.92 OPRL1 (0.98) OPRM1CHRM2CHRM4ADRA2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557088-B2 Methods and compositions for treating conditions NEOPRO LABS, LLC (US) 2009-07-07 US claimed
EP-2015765-A2 METHODS AMD COMPOSITIONS FOR TREATING CONDITIONS Neopro Labs, LLC (US) 2009-01-21 EP claimed
US-20080103162-A1 Antipruritics OYAMA TATSUYA 2008-05-01 US claimed
US-20070259818-A1 Methods and Compositions for Treating Conditions NEOPRO LABS, LLC 2007-11-08 US claimed
WO-2007112453-A2 METHODS AMD COMPOSITIONS FOR TREATING CONDITIONS NEOPRO LABS, LLC (US) 2007-10-04 WO claimed
US-20060030565-A1 Amide derivatives and nociceptin antagonists JAPAN TOBACCO INC. 2006-02-09 US claimed
US-20040116450-A1 Antipruritics NIPPON SHINYAKU CO., LTD. (JP) 2004-06-17 US claimed
EP-1371376-A1 ANTIPRURITICS Nippon Shinyaku Co., Ltd. (JP) 2003-12-17 EP claimed
US-20030055087-A1 Amide derivatives and nociceptin antagonists JAPAN TOBACCO INC. 2003-03-20 US claimed
US-6410561-B1 ANALGESICS JAPAN TOBACCO INC. (JP) 2002-06-25 US claimed
WO-2002047726-A2 PHARMACEUTICAL COMPOSITION CONTAINING AN ACTIVE WITH A HEMOLYTIC ACTION AND A SURFACTANT JAPAN TOBACCO INC. (JP) 2002-06-20 WO claimed
EP-1072263-A1 AMIDE DERIVATIVES AND NOCICEPTIN ANTAGONISTS JAPAN TOBACCO INC. (JP) 2001-01-31 EP claimed
US-9226918-B2 Methods and compositions for treating or preventing narcotic withdrawal symptoms THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-01-05 US disclosed
US-20150190416-A1 FILAGGRIN PRODUCTION PROMOTER, THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH REDUCTION IN PRODUCTION OF FILAGGRIN, AND METHOD FOR SCREENING FOR SAID THERAPEUTIC AGENT ASTELLAS PHARMA INC. (JP) 2015-07-09 US disclosed
EP-2878309-A1 FILAGGRIN PRODUCTION PROMOTER, THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH REDUCTION IN PRODUCTION OF FILAGGRIN, AND METHOD FOR SCREENING FOR SAID THERAPEUTIC AGENT Kyoto University (JP) 2015-06-03 EP disclosed
EP-1491212-B1 REMEDY FOR SLEEP DISTURBANCE MITSUBISHI TANABE PHARMA CORP (JP) 2012-08-08 EP disclosed
US-20030055087-A1 Amide derivatives and nociceptin antagonists JAPAN TOBACCO INC. 2003-03-20 US disclosed
US-6410561-B1 ANALGESICS JAPAN TOBACCO INC. (JP) 2002-06-25 US disclosed
WO-2002047726-A2 PHARMACEUTICAL COMPOSITION CONTAINING AN ACTIVE WITH A HEMOLYTIC ACTION AND A SURFACTANT JAPAN TOBACCO INC. (JP) 2002-06-20 WO disclosed
EP-1072263-A1 AMIDE DERIVATIVES AND NOCICEPTIN ANTAGONISTS JAPAN TOBACCO INC. (JP) 2001-01-31 EP 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 (4 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-20030055087-A1 Amide derivatives and nociceptin antagonists OPRL1, OPRD1, OPRK1 OPRM1 4/4885CHRM2 968/4885CHRM4 1064/4885
US-20080103162-A1 Antipruritics ITCH, NTSR1, OPRL1 OPRM1 158/4885CHRM2 436/4885CHRM4 1048/4885
US-20150190416-A1 FILAGGRIN PRODUCTION PROMOTER, THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH REDUCTION IN PRODUCTION OF FILAGGRIN, AND METHOD FOR SCREENING FOR SAID THERAPEUTIC AGENT FLNA, FLNB, TRPV5 OPRM1 4825/4885CHRM2 3390/4885CHRM4 3225/4885
US-20060030565-A1 Amide derivatives and nociceptin antagonists OPRL1, OPRD1, OPRM1 OPRM1 3/4885CHRM2 316/4885CHRM4 546/4885

“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.