Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3328322

Cl.Clc1ccc(Oc2cc(Cl)ccc2C[C@H]2CNCCO2)c(Br)c1

nearest known ligand 0.39

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 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 14/20 0.39
SLC6A2 known ✓ P23975 12/20 0.39
HTR2A known ✓ P28223 3/20 0.39
SLC6A3 known ✓ Q01959 6/20 0.38
KCNH2 known ✓ Q12809 1/20 0.38
HRH1 known ✓ P35367 1/20 0.38
HTR2B known ✓ P41595 3/20 0.37
HTR2C known ✓ P28335 2/20 0.37
ADRB2 known ✓ P07550 1/20 0.36
HTR1A known ✓ P08908 1/20 0.36
ADRA1A known ✓ P35348 1/20 0.36
ADRA2C known ✓ P18825 1/20 0.36

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 SCHEMBL3327963 0.87 SLC6A4 (0.47) SLC6A4SLC6A2HTR2ASLC6A3KCNH2
Hydrochloric Acid SCHEMBL3329564 0.87 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3KCNH2HRH1
Hydrochloric Acid SCHEMBL3332853 0.84 SLC6A4 (0.45) SLC6A4SLC6A2HTR2ASLC6A3HRH1
Hydrochloric Acid SCHEMBL3333935 0.80 SLC6A2 (0.54) SLC6A4SLC6A2HTR2ASLC6A3KCNH2
SCHEMBL5184651 0.78 SLC6A2 (0.55) SLC6A4SLC6A2HTR2ASLC6A3KCNH2
SCHEMBL5185168 0.78 SLC6A2 (0.55) SLC6A4SLC6A2HTR2ASLC6A3KCNH2
Hydrochloric Acid SCHEMBL3328273 0.78 SLC6A4 (0.47) SLC6A4SLC6A2HTR2ASLC6A3HRH1
Bromide SCHEMBL5183718 0.78 SLC6A2 (0.54) SLC6A4SLC6A2HTR2ASLC6A3KCNH2
SCHEMBL1552862 0.73 SLC6A4 (0.45) SLC6A4SLC6A2HTR2ASLC6A3
SCHEMBL1552161 0.73 SLC6A4 (0.45) SLC6A4SLC6A2HTR2ASLC6A3

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-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof FISH PAUL VINCENT 2010-06-03 US disclosed
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain FISH PAUL VINCENT 2008-07-03 US disclosed
EP-1744754-A1 MORPHOLINE COMPOUNDS Pfizer Limited (GB) 2007-01-24 EP disclosed
WO-2005105100-A1 MORPHOLINE COMPOUNDS PFIZER LIMITED (GB) 2005-11-10 WO disclosed
US-20050250775-A1 Novel compounds FISH PAUL V 2005-11-10 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-20050250775-A1 Novel compounds OPRL1, UGT1A1, NPSR1 SLC6A4 114/4885SLC6A2 133/4885HTR2A 108/4885
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain OPRL1, MYLK2, TNNT2 SLC6A4 350/4885SLC6A2 201/4885HTR2A 30/4885
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof OPRL1, UGT1A1, HTR3B SLC6A4 113/4885SLC6A2 109/4885HTR2A 54/4885

“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.