Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5535154

Cc1ccc2c(c1)C1CNCC2C1.Cl

nearest known ligand 0.96

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 8)

geneUniProtsupporting neighboursconfidence
CHRNB4 known ✓ P30926 9/20 0.59
CHRNA3 known ✓ P32297 9/20 0.59
CHRNA1 known ✓ P02708 2/20 0.56
CHRNG known ✓ P07510 2/20 0.56
CHRNB1 known ✓ P11230 2/20 0.56
CHRND known ✓ Q07001 2/20 0.56
CHRNB2 P17787 13/20 0.96
CHRNA4 P43681 13/20 0.96

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
SCHEMBL4406586 0.98 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL8251207 0.86 CHRNB2 (0.79) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL27274450 0.79 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL26272203 0.77 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL4416383 0.77 CHRNB2 (0.96) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL4407132 0.77 CHRNB2 (0.96) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL4689661 0.77 CHRNB2 (0.96) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL5536847 0.77 CHRNB2 (0.96) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL16958181 0.74 CHRNB2 (0.61) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL1972897 0.74 CHRNB4 (0.95) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275973-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER INC 2007-11-29 US disclosed
US-6897310-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2005-05-24 US disclosed
US-6605610-B1 Reducing nicotine addiction; treating neurological and psychological disorders PFIZER INC 2003-08-12 US disclosed
US-20020132824-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2002-09-19 US disclosed
US-20020072524-A1 Aryl fused azapolycyclic compounds WADSWORTH JOTHAM (US) 2002-06-13 US disclosed
US-20020072525-A1 Aryl fused azapolycyclic compounds PFIZER INC 2002-06-13 US 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-20020132824-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CHRNB4 416/4885CHRNA3 183/4885CHRNA1 375/4885
US-20020072524-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CHRNB4 416/4885CHRNA3 183/4885CHRNA1 375/4885
US-20070275973-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS GRIN2C, GRIN2A, GRIN2B CHRNB4 284/4885CHRNA3 167/4885CHRNA1 517/4885
US-20020072525-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CHRNB4 416/4885CHRNA3 183/4885CHRNA1 375/4885

“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.