Hydrochloric Acid

Hydrochloric Acid

SCHEMBL253016

C[C@@H](C(=O)NCCN1CCCC1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1.Cl

nearest known ligand 0.57

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
GLA known ✓ P06280 1/20 0.44
DRD2 known ✓ P14416 1/20 0.43
DRD1 known ✓ P21728 1/20 0.43
DRD4 known ✓ P21917 1/20 0.43
DRD3 known ✓ P35462 1/20 0.43
BCHE known ✓ P06276 1/20 0.41
ACHE known ✓ P22303 1/20 0.41
HRH3 known ✓ Q9Y5N1 1/20 0.41
CXCR2 P25025 2/20 0.57
RAB9A P51151 1/20 0.50
CXCR1 P25024 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.46
PKM P14618 1/20 0.45
KMT2A Q03164 2/20 0.44
CYP2D6 P10635 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD5 P21918 1/20 0.43
MEN1 O00255 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL253752 0.99 CXCR2 (0.58) CXCR2RAB9ACXCR1ALDH1A1POLB
SCHEMBL252769 0.99 CXCR2 (0.58) CXCR2RAB9ACXCR1ALDH1A1POLB
Hydrochloric Acid SCHEMBL253136 0.94 CXCR2 (0.55) CXCR2RAB9ACXCR1KMT2ACYP2D6
Hydrochloric Acid SCHEMBL251520 0.93 CXCR2 (0.54) CXCR2RAB9ACXCR1KMT2ACYP2D6
Hydrochloric Acid SCHEMBL5569882 0.93 CXCR2 (0.54) CXCR2RAB9ACXCR1KMT2ACYP2D6
SCHEMBL2556708 0.93 CXCR2 (0.56) CXCR2CXCR1KMT2ACYP2D6DRD2
SCHEMBL252131 0.93 CXCR2 (0.56) CXCR2CXCR1KMT2ACYP2D6DRD2
SCHEMBL252140 0.92 CXCR2 (0.55) CXCR2CXCR1KMT2ACYP2D6DRD2
SCHEMBL251855 0.92 CXCR2 (0.55) CXCR2CXCR1KMT2ACYP2D6DRD2
SCHEMBL252247 0.77 CXCR2 (0.60) CXCR2CXCR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293788-B2 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2012-10-23 US claimed
US-8039656-B2 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2011-10-18 US claimed
EP-1776336-B1 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA R MA SPA RES & MFG (IT) 2009-09-30 EP claimed
US-20090203740-A1 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE' PHA.R.MA S.P.A (IT) 2009-08-13 US claimed
EP-1776336-A2 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2007-04-25 EP claimed
WO-2005090295-A2 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA S.P.A. (IT) 2005-09-29 WO claimed
US-8293788-B2 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2012-10-23 US disclosed
US-20120004264-A1 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ PHA.R.MA S.P.A. (IT) 2012-01-05 US disclosed
US-8039656-B2 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2011-10-18 US disclosed
EP-1776336-B1 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA R MA SPA RES & MFG (IT) 2009-09-30 EP disclosed
US-20090203740-A1 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE' PHA.R.MA S.P.A (IT) 2009-08-13 US disclosed
EP-1776336-A2 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2007-04-25 EP disclosed
WO-2005090295-A2 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA S.P.A. (IT) 2005-09-29 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 (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-20090203740-A1 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them CXCR2, CXCR3, MMP8 GLA 4030/4885DRD2 2331/4885DRD1 2702/4885
US-20120004264-A1 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CXCR2, CXCR3, MMP8 GLA 4030/4885DRD2 2331/4885DRD1 2702/4885

“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.