Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4940947

Cl.O=C(NC1CN2CCC1CC2)c1ccc2cccnc2c1

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 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 known ✓ P36544 10/20 1.00
HTR3A known ✓ P46098 6/20 0.82
HTR3E known ✓ A5X5Y0 4/20 0.58
HTR3B known ✓ O95264 4/20 0.58
HTR3D known ✓ Q70Z44 4/20 0.58
HTR3C known ✓ Q8WXA8 4/20 0.58
CHRNB4 known ✓ P30926 3/20 0.58
CHRNA3 known ✓ P32297 3/20 0.58
CYP2D6 P10635 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
CHRNB2 P17787 1/20 0.54
CHRNA4 P43681 1/20 0.54

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
SCHEMBL1459330 0.99 CHRNA7 (1.00) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL4938323 0.91 HTR3A (0.98) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL4943294 0.91 HTR3A (0.98) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1459284 0.90 HTR3A (1.00) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1459693 0.90 HTR3A (1.00) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6100751 0.84 HTR3A (0.89) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5917821 0.82 CHRNA7 (0.71) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1459679 0.82 CHRNA7 (0.71) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1459347 0.81 CHRNA7 (0.70) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL1460522 0.81 CHRNA7 (0.69) CHRNA7HTR3AHTR3EHTR3BHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190040057-A1 HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2019-02-07 US claimed
US-20160214975-A1 HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2016-07-28 US claimed
US-20130144062-A1 HETEROARYL CARBOXAMIDES Bayer Pharma AG (DE) 2013-06-06 US claimed
US-8227598-B2 Heteroaryl carboxamides BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-24 US claimed
US-20080009624-A1 Heteroaryl carboxamides BAYER HEALTHCARE AG (DE) 2008-01-10 US claimed
US-20190040057-A1 HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2019-02-07 US disclosed
US-9926311-B2 Heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-03-27 US disclosed
US-20160214975-A1 HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2016-07-28 US disclosed
US-9139579-B2 Heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-09-22 US disclosed
US-20130144062-A1 HETEROARYL CARBOXAMIDES Bayer Pharma AG (DE) 2013-06-06 US disclosed
US-8227598-B2 Heteroaryl carboxamides BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-24 US disclosed
US-20080009624-A1 Heteroaryl carboxamides BAYER HEALTHCARE AG (DE) 2008-01-10 US disclosed
US-7256288-B2 Heteroaryl carboxylic acid amides BAYER HEALTHCARE AG (DE) 2007-08-14 US disclosed
US-20050209236-A1 Heteroaryl carboxylic acid amides BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2005-09-22 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 (5 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-20130144062-A1 HETEROARYL CARBOXAMIDES GRIN2A, GRIN2C, CNR2 CHRNA7 41/4885HTR3A 318/4885HTR3E 322/4885
US-20160214975-A1 HETEROARYL CARBOXAMIDES GRIN2A, GRIN2C, CNR2 CHRNA7 41/4885HTR3A 318/4885HTR3E 322/4885
US-20190040057-A1 HETEROARYL CARBOXAMIDES CNR2, GRIN2A, CNR1 CHRNA7 52/4885HTR3A 194/4885HTR3E 252/4885
US-20050209236-A1 Heteroaryl carboxylic acid amides HCAR2, HCAR1, HCAR3 CHRNA7 153/4885HTR3A 536/4885HTR3E 1131/4885
US-20080009624-A1 Heteroaryl carboxamides GRIN2A, GRIN2C, CNR2 CHRNA7 41/4885HTR3A 318/4885HTR3E 322/4885

“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.