Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2485461

CCCNC(CCC)Cc1scc2ccccc12.Cl

nearest known ligand 0.44

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 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 known ✓ Q99720 12/20 0.44
HTR1B known ✓ P28222 1/20 0.33
GAA known ✓ P10253 1/20 0.31
KCNH2 known ✓ Q12809 1/20 0.31
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
Hydrochloric Acid SCHEMBL2485455 1.00 SIGMAR1 (0.44) SIGMAR1MEN1KMT2AHTR1BGAA
Hydrochloric Acid SCHEMBL6023874 0.76 CYP2A6 (0.44) SIGMAR1
Hydrochloric Acid SCHEMBL9156272 0.75 SIGMAR1 (0.71) SIGMAR1MEN1KMT2A
SCHEMBL6024115 0.74 SIGMAR1 (0.47) SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL6024499 0.73 SIGMAR1 (0.52) SIGMAR1
SCHEMBL6024641 0.73 SIGMAR1 (0.73) SIGMAR1MEN1KMT2AKCNH2
SCHEMBL19639848 0.73 SIGMAR1 (0.73) SIGMAR1MEN1KMT2AKCNH2
SCHEMBL6023885 0.71 SIGMAR1 (0.53) SIGMAR1
SCHEMBL5538547 0.71 CNR1 (0.41) KMT2AHTR1BGAA
Hydrochloric Acid SCHEMBL6023872 0.70 CYP2A6 (0.47) SIGMAR1

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-8178686-B2 Process for preparing optically active aminopentane derivative, intermediate and process for preparing intermediate FUJIMOTO CO., LTD. (JP) 2012-05-15 US disclosed
EP-1905760-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINOPENTANE DERIVATIVE, INTERMEDIATE IN THE PROCESS AND PROCESS FOR PRODUCTION OF THE INTERMEDIATE FUJIMOTO CO LTD (JP) 2011-10-26 EP disclosed
US-20100324300-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE AMINOPENTANE DERIVATIVE, INTERMEDIATE AND PROCESS FOR PREPARING INTERMEDIATE YONEDA FUMIO 2010-12-23 US disclosed
US-7807840-B2 Process for preparing optically active aminopentane derivative, intermediate and process for preparing intermediate FUJIMOTO CO., LTD. (JP) 2010-10-05 US disclosed
US-20090124813-A1 Process for Preparing Optically Active Aminopentane Derivative, Intermediate and Process for Preparing Intermediate FUJIMOTO CO., LTD. (JP) 2009-05-14 US disclosed
EP-1905760-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINOPENTANE DERIVATIVE, INTERMEDIATE IN THE PROCESS AND PROCESS FOR PRODUCTION OF THE INTERMEDIATE Fujimoto Co., Ltd. (JP) 2008-04-02 EP disclosed
EP-0957080-B1 NOVEL ETHYLAMINE DERIVATIVES FUJIMOTO BROTHERS CO LTD (JP) 2006-06-21 EP disclosed
US-6214859-B1 PSYCHOLOGICAL DISORDERS; ALZHEIMER'S DISORDERS; PARKINSON'SDISORDERS FUJIMOTO BROTHERS CO., LTD. (JP) 2001-04-10 US disclosed
EP-0957080-A1 NOVEL ETHYLAMINE DERIVATIVES Fujimoto Brothers Co., Ltd. (JP) 1999-11-17 EP 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 (2 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-20090124813-A1 Process for Preparing Optically Active Aminopentane Derivative, Intermediate and Process for Preparing Intermediate API5, CASP5, BAD SIGMAR1 698/4885HTR1B 105/4885GAA 1545/4885
US-20100324300-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE AMINOPENTANE DERIVATIVE, INTERMEDIATE AND PROCESS FOR PREPARING INTERMEDIATE API5, CASP5, BAD SIGMAR1 698/4885HTR1B 105/4885GAA 1545/4885

“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.