Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2980328

CN1CCN(Cc2cccnc2)CC1.Cl

nearest known ligand 0.70

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 14)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 2/20 0.55
DRD4 known ✓ P21917 2/20 0.55
DRD3 known ✓ P35462 2/20 0.55
CHRNB2 P17787 1/20 0.70
CHRNA4 P43681 1/20 0.70
MC4R P32245 1/20 0.61
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
TRPV6 Q9H1D0 2/20 0.56
GFER P55789 1/20 0.56
CASP1 P29466 1/20 0.53
CASP4 P49662 1/20 0.53
CASP5 P51878 1/20 0.53

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
SCHEMBL8306431 0.98 CHRNB2 (0.72) CHRNB2CHRNA4MC4RKDM4EALDH1A1
SCHEMBL16026435 0.89 CHRNB2 (0.85) CHRNB2CHRNA4KDM4EALDH1A1TDP1
SCHEMBL10294632 0.85 CHRNB2 (0.72) CHRNB2CHRNA4KDM4EALDH1A1TDP1
SCHEMBL29615719 0.84 CHRNB2 (0.62) CHRNB2CHRNA4KDM4EALDH1A1TDP1
N-(3-Pyridylmethyl)Pyrrolidine SCHEMBL27432542 0.84 CHRNB2 (0.96) CHRNB2CHRNA4KDM4EALDH1A1TDP1
SCHEMBL15800693 0.84 CHRNB2 (0.77) CHRNB2CHRNA4KDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL2985111 0.84 CHRNB2 (0.66) CHRNB2CHRNA4KDM4EALDH1A1TDP1
SCHEMBL14194084 0.83 HRH3 (0.55) CHRNB2CHRNA4KDM4EALDH1A1
N-(3-Pyridylmethyl)Pyrrolidine SCHEMBL1538320 0.82 CHRNB2 (1.00) CHRNB2CHRNA4KDM4EALDH1A1TDP1
SCHEMBL30711590 0.82 CHRNB2 (0.93) CHRNB2CHRNA4KDM4EALDH1A1TDP1

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
US-20100324064-A1 NOVEL ANALOGS OF CHOLINE FOR NEUROPROTECTION AND COGNITIVE ENHANCEMENT IN NEURODEGENERATIVE DISORDERS MEDICAL COLLEGE OF GEORGIA RESEARCH INSTITUTE (US) 2010-12-23 US disclosed
US-7786147-B2 Analogs of choline for neuroprotection and cognitive enhancement in neurodegenerative disorders Medical College of Georgia Research Institute. (US) 2010-08-31 US disclosed
US-20050227993-A1 Novel analogs of choline for neuroprotection and cognitive enhancement in neurodegenerative disorders MEDICAL COLLEGE OF GEORGIA RESEARCH INSTITUTE 2005-10-13 US disclosed
US-6881738-B2 Analogs of choline for neuroprotection and cognitive enhancement in neurodegenerative disorders MEDICAL COLLEGE OF GEORGIA RESEARCH INSTITUTE (US) 2005-04-19 US disclosed
US-20030050316-A1 Novel analogs of choline for neuroprotection and cognitive enhancement in neurodegenerative disorders AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. 2003-03-13 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 (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-20100324064-A1 NOVEL ANALOGS OF CHOLINE FOR NEUROPROTECTION AND COGNITIVE ENHANCEMENT IN NEURODEGENERATIVE DISORDERS CDR2, CHAT, CHRNA2 DRD2 242/4885DRD4 226/4885DRD3 276/4885
US-20050227993-A1 Novel analogs of choline for neuroprotection and cognitive enhancement in neurodegenerative disorders CDR2, CHAT, CHRNA2 DRD2 242/4885DRD4 226/4885DRD3 276/4885
US-20030050316-A1 Novel analogs of choline for neuroprotection and cognitive enhancement in neurodegenerative disorders CDR2, CHAT, CHRNA2 DRD2 242/4885DRD4 226/4885DRD3 276/4885

“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.