Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5995210

COc1ccc2c(c1)CC1CC2CN(Cc2ccccc2)C1.Cl

nearest known ligand 0.51

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
CHRNB4 known ✓ P30926 1/20 0.51
CHRNA3 known ✓ P32297 1/20 0.51
CHRNA7 known ✓ P36544 1/20 0.51
DRD2 known ✓ P14416 3/20 0.51
DRD3 known ✓ P35462 2/20 0.51
SIGMAR1 known ✓ Q99720 6/20 0.49
HTR2C known ✓ P28335 2/20 0.45
HTR2B known ✓ P41595 2/20 0.45
HTR1A known ✓ P08908 1/20 0.45
ADRA2A known ✓ P08913 1/20 0.45
ADRA2B known ✓ P18089 1/20 0.45
ADRA2C known ✓ P18825 1/20 0.45
DRD4 known ✓ P21917 1/20 0.45
SLC6A2 known ✓ P23975 1/20 0.45
SLC6A4 known ✓ P31645 1/20 0.45
OPRK1 known ✓ P41145 1/20 0.45
HTR5A known ✓ P47898 1/20 0.45
SLC6A3 known ✓ Q01959 1/20 0.45
GRIN1 known ✓ Q05586 1/20 0.43
GRIN2B known ✓ Q13224 1/20 0.43

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
SCHEMBL5997736 0.99 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL5994492 0.91 DRD3 (0.51) DRD2DRD3SIGMAR1HTR2CHTR2B
SCHEMBL5996431 0.89 DRD3 (0.52) DRD2DRD3SIGMAR1HTR2CHTR2B
Hydrochloric Acid SCHEMBL6814278 0.89 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5997232 0.87 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6778792 0.85 FAAH (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5996730 0.84 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL7860155 0.84 DRD2 (0.46) DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL6773315 0.83 SLC6A2 (0.43) DRD2DRD3SLC6A2SLC6A4SLC6A3
SCHEMBL5996688 0.82 DRD2 (0.46) CHRNB2CHRNA4CHRNA7DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122534-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2006-10-17 US disclosed
US-20040167149-A1 Aryl fused azapolycyclic compounds PFIZER INC 2004-08-26 US disclosed
US-6706702-B2 FOR THERAPY OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS PFIZER INC. 2004-03-16 US disclosed
EP-1076650-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2004-02-04 EP disclosed
US-20030130261-A1 Aryl fused azapolycyclic compounds PFIZER INC 2003-07-10 US disclosed
US-20030008890-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2003-01-09 US disclosed
US-6462035-B1 BINDING TO NEURONAL NICOTINIC ACETYLCHOLINE SPECIFIC RECEPTOR; MODULATING CHOLINERGIC FUNCTION; REDUCING NICOTINE ADDICTION; INFLAMMATORY AND IRRITABLE BOWEL SYNDROME, SPASTIC DYSTONIA, CHRONIC AND ACUTE PAIN, EATING DISORDERS PFIZER INC. 2002-10-08 US disclosed
EP-1076650-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2001-02-21 EP disclosed
WO-1999055680-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-11-04 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 (3 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-20030130261-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A CHRNB4 524/4885CHRNA3 161/4885CHRNA7 182/4885
US-20030008890-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, NR3C1 CHRNB4 443/4885CHRNA3 147/4885CHRNA7 201/4885
US-20040167149-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, NR3C1 CHRNB4 443/4885CHRNA3 147/4885CHRNA7 201/4885

“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.