Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5570686

COc1cc(-c2ccc(C(=O)N3CCN(CCCN4CCN(C(=O)c5ccc(-c6cc(OC)c(OC)c(OC)c6)cc5)CC4)CC3)cc2)cc(OC)c1OC.Cl.Cl

nearest known ligand 0.63

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 18)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 3/20 0.56
HTR2A known ✓ P28223 1/20 0.56
GAA known ✓ P10253 1/20 0.52
DRD3 known ✓ P35462 1/20 0.52
POLB P06746 2/20 0.63
ALDH1A1 P00352 5/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SLC29A1 Q99808 3/20 0.58
CYP1A2 P05177 1/20 0.56
HTT P42858 1/20 0.55
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 2/20 0.52
GMNN O75496 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL5572651 0.99 POLB (0.64) POLBALDH1A1L3MBTL1SLC29A1CYP1A2
SCHEMBL5572627 0.96 POLB (0.64) POLBALDH1A1L3MBTL1SLC29A1CYP1A2
Hydrochloric Acid SCHEMBL5573141 0.96 SLC29A1 (0.64) POLBALDH1A1L3MBTL1SLC29A1CYP1A2
Hydrochloric Acid SCHEMBL5569620 0.95 POLB (0.65) POLBALDH1A1L3MBTL1SLC29A1CYP1A2
SCHEMBL5570688 0.94 SLC29A1 (0.66) POLBALDH1A1L3MBTL1SLC29A1CYP1A2
SCHEMBL5569613 0.94 POLB (0.67) POLBALDH1A1L3MBTL1SLC29A1CYP1A2
Hydrochloric Acid SCHEMBL7030279 0.92 POLB (0.62) POLBALDH1A1L3MBTL1SLC29A1CYP1A2
SCHEMBL5572674 0.91 POLB (0.59) POLBALDH1A1L3MBTL1SLC29A1CYP1A2
SCHEMBL6855146 0.90 DRD2 (0.55) POLBALDH1A1L3MBTL1SLC29A1DRD2
Hydrochloric Acid SCHEMBL6850866 0.89 DRD2 (0.55) POLBALDH1A1SLC29A1DRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787653-B2 REACTING, IN THE PRESENCE OF A METAL CATALYST, A HALOGENOBENZOIC ACID DERIVATIVE WITH BENZENE DERIVATIVE TO PRODUCE BIPHENYLDICARBOXYLIC ACID AMIDE DERIVATIVE KOWA CO., LTD. (JP) 2004-09-07 US claimed
EP-1057815-B1 CYCLIC AMIDE COMPOUNDS KOWA CO (JP) 2007-09-05 EP disclosed
US-6787653-B2 REACTING, IN THE PRESENCE OF A METAL CATALYST, A HALOGENOBENZOIC ACID DERIVATIVE WITH BENZENE DERIVATIVE TO PRODUCE BIPHENYLDICARBOXYLIC ACID AMIDE DERIVATIVE KOWA CO., LTD. (JP) 2004-09-07 US disclosed
US-20030232992-A1 Preparation process of biphenylcarboxylic acid amide derivatives KOWA CO., LTD. (JP) 2003-12-18 US disclosed
US-6645957-B2 Useful in preventing and treating allergic immunological diseases; treating asthma, atopic dermatitis, allergic rhinitis, inflammatory large bowel disease, contact dermatitis KOWA CO., LTD. (JP) 2003-11-11 US disclosed
US-20030096828-A1 Cyclic amide compound KOWA CO., LTD. (JP) 2003-05-22 US disclosed
US-6448242-B1 COMPOUND HAVING A STRONG INHIBITORY EFFECT ON THE PRODUCTION OF AN IGE ANTIBODY; ANTIALLERGENS KOWA CO., LTD. (JP) 2002-09-10 US disclosed
EP-1057815-A1 CYCLIC AMIDE COMPOUNDS Kowa Co., Ltd. (JP) 2000-12-06 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-20030096828-A1 Cyclic amide compound CMA1, HRH2, HRH4 DRD2 3549/4885HTR2A 3831/4885GAA 1982/4885
US-20030232992-A1 Preparation process of biphenylcarboxylic acid amide derivatives CD22, C9, FCGR1A DRD2 1897/4885HTR2A 3834/4885GAA 3489/4885

“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.