Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4918804

Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C(C)C)cc3)ccc2n1.Cl

nearest known ligand 0.85

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 8/20 0.80
CHRM2 known ✓ P08172 1/20 0.80
CHRM4 known ✓ P08173 1/20 0.80
ADRA2A known ✓ P08913 1/20 0.80
CHRM1 known ✓ P11229 1/20 0.80
ADRB3 known ✓ P13945 1/20 0.80
ADRA2B known ✓ P18089 1/20 0.80
S1PR1 known ✓ P21453 1/20 0.80
ADRA1D known ✓ P25100 1/20 0.80
HTR1D known ✓ P28221 1/20 0.80
HTR2A known ✓ P28223 1/20 0.80
HTR2C known ✓ P28335 1/20 0.80
AGTR1 known ✓ P30556 1/20 0.80
ADRA1B known ✓ P35368 1/20 0.80
HTR2B known ✓ P41595 1/20 0.80
HTR5A known ✓ P47898 1/20 0.80
SIGMAR1 known ✓ Q99720 1/20 0.80
OPRK1 known ✓ P41145 7/20 0.78
OPRD1 known ✓ P41143 1/20 0.78
HDAC6 known ✓ Q9UBN7 1/20 0.78

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 SCHEMBL4920232 0.93 OPRL1 (0.98) OPRL1OPRM1CHRM2CHRM4ADRA2A
Hydrochloric Acid SCHEMBL4911001 0.92 OPRL1 (0.98) OPRL1OPRM1CHRM2CHRM4ADRA2A
Hydrochloric Acid SCHEMBL4919898 0.91 OPRL1 (0.98) OPRL1OPRM1CHRM2CHRM4ADRA2A
Hydrochloric Acid SCHEMBL4918400 0.91 OPRL1 (0.98) OPRL1OPRM1CHRM2CHRM4ADRA2A
Hydrochloric Acid SCHEMBL4917164 0.91 OPRL1 (0.98) OPRL1OPRM1CHRM2CHRM4ADRA2A
SCHEMBL7549465 0.91 OPRL1 (1.00) OPRL1OPRM1CHRM2CHRM4ADRA2A
Hydrochloric Acid SCHEMBL4918190 0.90 OPRL1 (0.88) OPRL1OPRM1CHRM2CHRM4ADRA2A
Hydrochloric Acid SCHEMBL4916990 0.90 OPRL1 (0.98) OPRL1OPRM1CHRM2CHRM4ADRA2A
Hydrochloric Acid SCHEMBL4920691 0.90 OPRL1 (0.86) OPRL1OPRM1CHRM2CHRM4ADRA2A
Hydrochloric Acid SCHEMBL4914573 0.90 OPRL1 (0.98) OPRL1OPRM1CHRM2CHRM4ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060030565-A1 Amide derivatives and nociceptin antagonists JAPAN TOBACCO INC. 2006-02-09 US 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
US-20080103163-A1 Antipruritics OYAMA TATSUYA 2008-05-01 US disclosed
US-20080103162-A1 Antipruritics OYAMA TATSUYA 2008-05-01 US disclosed
US-20060030565-A1 Amide derivatives and nociceptin antagonists JAPAN TOBACCO INC. 2006-02-09 US disclosed
US-6903094-B2 Amide derivatives and nociceptin antagonists JAPAN TABACCO, INC. (JP) 2005-06-07 US disclosed
US-20040116450-A1 Antipruritics NIPPON SHINYAKU CO., LTD. (JP) 2004-06-17 US disclosed
EP-1371376-A1 ANTIPRURITICS Nippon Shinyaku Co., Ltd. (JP) 2003-12-17 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-20080103163-A1 Antipruritics ITCH, OPRL1, NTSR1 OPRM1 135/4885CHRM2 509/4885CHRM4 1312/4885
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.