Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3267987

Cl.O=C(NCc1ccccc1)[C@@H]1CCCCN1

nearest known ligand 0.70

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 16)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 5/20 0.70
HTR2B known ✓ P41595 3/20 0.70
HDAC1 known ✓ Q13547 3/20 0.53
HDAC3 known ✓ O15379 2/20 0.51
HDAC2 known ✓ Q92769 1/20 0.51
HPGD P15428 2/20 0.57
ALDH1A1 P00352 2/20 0.57
USP2 O75604 1/20 0.57
KDM4E B2RXH2 1/20 0.55
MC4R P32245 2/20 0.54
CTSC P53634 2/20 0.52
GID4 Q8IVV7 1/20 0.50
EPHX1 P07099 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALOX12 P18054 1/20 0.49

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 SCHEMBL18337653 1.00 HTR2C (0.70) HTR2CHTR2BHPGDALDH1A1USP2
Hydrochloric Acid SCHEMBL18337654 1.00 HTR2C (0.70) HTR2CHTR2BHPGDALDH1A1USP2
SCHEMBL9469301 0.99 HTR2C (0.71) HTR2CHTR2BHPGDALDH1A1USP2
SCHEMBL9469302 0.99 HTR2C (0.71) HTR2CHTR2BHPGDALDH1A1USP2
Hydrochloric Acid SCHEMBL7607289 0.96 HTR2C (0.75) HTR2CHTR2BHPGDALDH1A1USP2
Hydrochloric Acid SCHEMBL18337901 0.96 HTR2C (0.75) HTR2CHTR2BHPGDALDH1A1USP2
Hydrochloric Acid SCHEMBL4368425 0.96 HTR2C (0.75) HTR2CHTR2BHPGDALDH1A1USP2
SCHEMBL1789145 0.94 HTR2C (0.77) HTR2CHTR2BHPGDALDH1A1USP2
SCHEMBL5154669 0.94 HTR2C (0.77) HTR2CHTR2BHPGDALDH1A1USP2
SCHEMBL7874030 0.94 HTR2C (0.77) HTR2CHTR2BHPGDALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497273-B1 HYDROXAMIC ACID DERIVATIVES NOVARTIS AG (CH) 2010-06-09 EP disclosed
US-7589091-B2 2(R)-Benzyloxymethyl-4-[4-(4-chloro-phenyl)-piperazin-1-yl]-N-hydroxy-3(S)-(4-methoxy-phenyl)-4-oxo-butyramide; inhibiting matrix metalloproteinase; immunosuppression; neuropathic pain NOVARTIS AG (CH) 2009-09-15 US disclosed
CN-100345834-C Hydroxamic acid derivatives NOVARTIS AG (CH) 2007-10-31 CN disclosed
US-20060063778-A1 Hydroxamic acid derivatives NOVARTIS AG (CH) 2006-03-23 US disclosed
CN-1649857-A Hydroxamic acid derivatives NOVARTIS AG (CH) 2005-08-03 CN disclosed
EP-1497273-A2 HYDROXAMIC ACID DERIVATIVES Novartis AG (CH) 2005-01-19 EP disclosed
WO-2003084941-A2 HYDROXAMIC ACID DERIVATIVES NOVARTIS AG (CH) 2003-10-16 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 (1 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-20060063778-A1 Hydroxamic acid derivatives HCAR1, HCAR2, TNF HTR2C 3234/4885HTR2B 1706/4885HDAC1 18/4885

“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.