Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4140455

Cl.Cl.O=C(O)CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.89

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 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 known ✓ P54289 6/20 0.71
CACNB1 known ✓ Q02641 6/20 0.71
CACNA1B known ✓ Q00975 5/20 0.71
CACNA1C known ✓ Q13936 5/20 0.71
HRH1 known ✓ P35367 4/20 0.68
DRD3 known ✓ P35462 3/20 0.66
KCNH2 known ✓ Q12809 3/20 0.66
SLC6A2 known ✓ P23975 2/20 0.66
SLC6A4 known ✓ P31645 2/20 0.66
SLC6A3 known ✓ Q01959 2/20 0.66
HRH2 known ✓ P25021 2/20 0.66
HTR2A known ✓ P28223 2/20 0.66
HTR2B known ✓ P41595 2/20 0.66
CACNA1A known ✓ O00555 1/20 0.64
CACNA1G known ✓ O43497 1/20 0.62
CHRM2 known ✓ P08172 2/20 0.58
ADRA2A known ✓ P08913 2/20 0.58
ADRA1A known ✓ P35348 2/20 0.58
HTR1A known ✓ P08908 1/20 0.58
CHRM1 known ✓ P11229 1/20 0.58

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
SCHEMBL4136017 0.99 SLC6A9 (0.91) SLC6A9CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL28935916 0.99 SLC6A9 (0.91) SLC6A9CACNA2D1CACNB1CACNA1BCACNA1C
Hydrochloric Acid SCHEMBL4150496 0.96 SLC6A9 (0.97) SLC6A9CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL4139616 0.94 SLC6A9 (1.00) SLC6A9CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL1691475 0.90 SLC6A9 (0.74) SLC6A9CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL10929636 0.88 SLC6A9 (0.72) SLC6A9CACNA2D1CACNB1CACNA1BCACNA1C
SCHEMBL4144090 0.88 SLC6A9 (0.72) SLC6A9CACNA2D1CACNB1CACNA1BCACNA1C
Hydrochloric Acid SCHEMBL4145673 0.86 SLC6A9 (0.66) SLC6A9CACNA2D1CACNB1CACNA1BCACNA1C
Hydrochloric Acid SCHEMBL4145669 0.86 SLC6A9 (0.66) SLC6A9CACNA2D1CACNB1CACNA1BCACNA1C
Hydrochloric Acid SCHEMBL4156365 0.86 SLC6A9 (0.66) SLC6A9CACNA2D1CACNB1CACNA1BCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663476-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2017-05-30 US disclosed
EP-2947067-A1 Glycine transporter-1 inhibitors Amgen, Inc (US) 2015-11-25 EP disclosed
US-20150307457-A1 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC. (US) 2015-10-29 US disclosed
US-8735383-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2014-05-27 US disclosed
EP-2041088-B1 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC (US) 2014-01-08 EP disclosed
EP-2565183-A1 Glycine transporter-1 inhibitors Amgen Inc. (US) 2013-03-06 EP disclosed
CN-101479243-B Glycine transporter-1 inhibitors AMGEN INC 2013-01-02 CN disclosed
US-20120195985-A1 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC. (US) 2012-08-02 US disclosed
US-8183244-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2012-05-22 US disclosed
US-20090227595-A1 GLYCINE TRANSPORTER-1 INHIBITORS HITCHCOCK STEPHEN 2009-09-10 US disclosed
CN-101479243-A Glycine transporter-1 inhibitors AMGEN INC (US) 2009-07-08 CN disclosed
US-7538114-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2009-05-26 US disclosed
EP-2041088-A1 GLYCINE TRANSPORTER-1 INHIBITORS Amgen Inc. (US) 2009-04-01 EP disclosed
WO-2008002583-A1 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC. (US) 2008-01-03 WO disclosed
US-20080004289-A1 Glycine transporter-1 inhibitors AMGEN INC. 2008-01-03 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-20090227595-A1 GLYCINE TRANSPORTER-1 INHIBITORS SLC18A2, SLC7A11, SLC6A5 CACNA2D1 3216/4885CACNB1 2118/4885CACNA1B 2467/4885
US-20120195985-A1 GLYCINE TRANSPORTER-1 INHIBITORS SLC18A2, SLC6A5, SLC1A2 CACNA2D1 3030/4885CACNB1 1621/4885CACNA1B 1928/4885
US-20080004289-A1 Glycine transporter-1 inhibitors SLC18A2, SLC7A11, SLC6A5 CACNA2D1 3216/4885CACNB1 2118/4885CACNA1B 2467/4885
US-20150307457-A1 GLYCINE TRANSPORTER-1 INHIBITORS SLC18A2, SLC7A11, SLC6A5 CACNA2D1 3216/4885CACNB1 2118/4885CACNA1B 2467/4885

“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.