Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5168545

Cl.O=C(CC1CN2CCC1CC2)Nc1cccc(Br)c1

nearest known ligand 0.65

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 10)

geneUniProtsupporting neighboursconfidence
▸ GAA known ✓ P10253 1/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ ALDH1A1 P00352 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MAPT P10636 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ PRMT5 O14744 1/20 0.45
▸ WDR77 Q9BQA1 1/20 0.45

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
SCHEMBL14540064 0.99 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1HTTGAAL3MBTL1
Hydrochloric Acid SCHEMBL5166546 0.86 CHRNA7 (0.58) SMN1; SMN2ALDH1A1HTTGAAL3MBTL1
SCHEMBL6556626 0.84 CHRNA7 (0.59) SMN1; SMN2ALDH1A1HTTGAAL3MBTL1
SCHEMBL28686105 0.82 CHRNA7 (0.55) MAPTPOLB
SCHEMBL30965967 0.82 CHRNA7 (0.55) MAPTPOLB
Hydrochloric Acid SCHEMBL5170648 0.81 MGLL (0.48) POLB
Hydrochloric Acid SCHEMBL4285765 0.81 MEN1 (0.51) SMN1; SMN2ALDH1A1HTTGAAL3MBTL1
Hydrochloric Acid SCHEMBL5169879 0.80 MAP4K4 (0.40) POLB
SCHEMBL6554521 0.79 MGLL (0.49) POLB
SCHEMBL1459283 0.79 MEN1 (0.52) SMN1; SMN2ALDH1A1HTTGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487834-B1 AZA-BICYCLIC N-BIARYLAMIDES WITH AFFINITY FOR THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR BAYER HEALTHCARE AG (DE) 2007-04-25 — — EP disclosed
US-7138410-B2 Aza-bicyclic N-biarylamides with affinity for the α7 nicotinic acetylcholine receptor BAYER HEALTHCARE AG (DE) 2006-11-21 — — US disclosed
US-20050154045-A1 Aza-bicyclic n-biarylamides with affinity for the alpha-7 nicotinic acetylcholine receptor BAYER HEALTHCARE AG (DE) 2005-07-14 — — US disclosed
EP-1487834-A1 AZA-BICYCLIC N-BIARYLAMIDES WITH AFFINITY FOR THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR Bayer Aktiengesellschaft (DE) 2004-12-22 — — EP disclosed
WO-2003078431-A1 AZA-BICYCLIC N-BIARYLAMIDES WITH AFFINITY FOR THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR BAYER HEALTHCARE AG (DE) 2003-09-25 — — 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 (1 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-20050154045-A1 Aza-bicyclic n-biarylamides with affinity for the alpha-7 nicotinic acetylcholine receptor CHRNA7, CHRNA5, CHRNA2 GAA 744/4885SMN1; SMN2 1569/4885ALDH1A1 1192/4885

“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.

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