Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4152568

CC(C(=O)O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.Cl.Cl

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 20)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 2/20 0.56
HTR1A known ✓ P08908 2/20 0.56
ADRA2A known ✓ P08913 2/20 0.56
CHRM1 known ✓ P11229 2/20 0.56
DRD1 known ✓ P21728 2/20 0.56
SLC6A2 known ✓ P23975 2/20 0.56
SLC6A4 known ✓ P31645 2/20 0.56
ADRA1A known ✓ P35348 2/20 0.56
DRD3 known ✓ P35462 2/20 0.56
SLC6A3 known ✓ Q01959 2/20 0.56
KCNH2 known ✓ Q12809 2/20 0.56
HRH3 known ✓ Q9Y5N1 1/20 0.56
CACNA2D1 known ✓ P54289 5/20 0.56
CACNB1 known ✓ Q02641 5/20 0.56
CACNA1A known ✓ O00555 1/20 0.56
CACNA1B known ✓ Q00975 4/20 0.53
CACNA1C known ✓ Q13936 3/20 0.53
CACNA1G known ✓ O43497 1/20 0.53
OPRM1 known ✓ P35372 1/20 0.51
SLC6A9 P48067 4/20 0.65

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
SCHEMBL4152763 0.98 SLC6A9 (0.67) SLC6A9CYP2D6TSHRCYP2C19TDP1
SCHEMBL25068897 0.81 CHRM2 (0.64) SLC6A9CYP2D6TSHRCYP2C19TDP1
SCHEMBL4157249 0.79 SLC6A9 (1.00) SLC6A9CYP2D6TSHRCYP2C19TDP1
SCHEMBL4144880 0.79 SLC6A9 (1.00) SLC6A9CYP2D6TSHRCYP2C19TDP1
SCHEMBL4135998 0.79 SLC6A9 (1.00) SLC6A9CYP2D6TSHRCYP2C19TDP1
SCHEMBL4136004 0.79 SLC6A9 (1.00) SLC6A9CYP2D6TSHRCYP2C19TDP1
SCHEMBL4144885 0.79 SLC6A9 (1.00) SLC6A9CYP2D6TSHRCYP2C19TDP1
SCHEMBL13900811 0.79 KCNH2 (0.76) CYP2D6TSHRCYP2C19TDP1CHRM2
SCHEMBL16769329 0.79 KCNH2 (0.76) CYP2D6TSHRCYP2C19TDP1CHRM2
Hydrochloric Acid SCHEMBL4150496 0.77 SLC6A9 (0.97) SLC6A9CYP2D6TSHRCYP2C19TDP1

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 11 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
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
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

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-20090227595-A1 GLYCINE TRANSPORTER-1 INHIBITORS SLC18A2, SLC7A11, SLC6A5 CHRM2 891/4885HTR1A 317/4885ADRA2A 1344/4885
US-20120195985-A1 GLYCINE TRANSPORTER-1 INHIBITORS SLC18A2, SLC6A5, SLC1A2 CHRM2 970/4885HTR1A 277/4885ADRA2A 1240/4885
US-20150307457-A1 GLYCINE TRANSPORTER-1 INHIBITORS SLC18A2, SLC7A11, SLC6A5 CHRM2 891/4885HTR1A 317/4885ADRA2A 1344/4885

“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.