Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4689047

CC(=O)NC[C@H]1CN(c2ccc(N3CCNCC3)c(F)c2)C(=O)O1.Cl

nearest known ligand 0.79

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 7)

geneUniProtsupporting neighboursconfidence
MAOA known ✓ P21397 6/20 0.79
MAOB known ✓ P27338 6/20 0.79
PTGS1 known ✓ P23219 2/20 0.79
SDHA P31040 2/20 0.79
LMNA P02545 1/20 0.79
CALML3 P27482 1/20 0.79
F10 P00742 7/20 0.71

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 SCHEMBL4689051 1.00 MAOA (0.79) MAOAMAOBPTGS1SDHALMNA
SCHEMBL1894257 0.99 MAOA (0.80) MAOAMAOBPTGS1SDHALMNA
SCHEMBL1498511 0.99 MAOA (0.80) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5818098 0.95 MAOA (0.75) MAOAMAOBPTGS1SDHALMNA
Phosphonic Acid SCHEMBL5325175 0.95 MAOB (0.75) MAOAMAOBPTGS1SDHALMNA
Trifluoroacetic Acid SCHEMBL5943313 0.94 MAOB (0.73) MAOAMAOBPTGS1SDHALMNA
Trifluoroacetic Acid SCHEMBL6509850 0.94 MAOB (0.73) MAOAMAOBPTGS1SDHALMNA
Trifluoroacetic Acid SCHEMBL5727900 0.94 MAOB (0.73) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10151522 0.93 MAOA (0.80) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4163701 0.92 MAOA (0.70) MAOAMAOBPTGS1SDHALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328856-A2 ANTIBACTERIAL THERAPEUTICS AND PROPHYLACTICS Vyome Biosciences Pvt. Ltd. (IN) 2018-06-06 EP disclosed
WO-2017017631-A2 ANTIBACTERIAL THERAPEUTICS AND PROPHYLACTICS VYOME BIOSCIENCES PVT. LTD. (IN) 2017-02-02 WO disclosed
EP-1114819-B1 Process to prepare oxazolidinones PHARMACIA & UPJOHN CO LLC (US) 2008-01-09 EP disclosed
CN-1319952-C Method for preparing oxazolidone amine PHARMACIA & UPJOHN CO LLC (US) 2007-06-06 CN disclosed
US-20070060558-A1 Hybrid molecules QA where Q is an aminoquinoline and A is an antibiotic residue, the synthesis and uses thereof as antibacterial agents PALUMED S.A. (FR) 2007-03-15 US disclosed
US-20060293307-A1 Oxazolidinone derivatives as antimicrobials RANBAXY LABORATORIES LIMITED (IN) 2006-12-28 US disclosed
EP-1615917-A1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES DERIVATIVES WITH ANTIBACTERIAL ACTIVITY Pharmacia & Upjohn Company LLC (US) 2006-01-18 EP disclosed
WO-2004087697-A1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES DERIVATIVES WITH ANTIBACTERIAL ACTIVITY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-10-14 WO disclosed
CN-1167701-C Process for preparing oxazolidone amines �������Ŷ���Լ��������˾ 2004-09-22 CN disclosed
CN-1496983-A Method for preparing oxazolidone amine �������Ŷ���Լ��������˾ 2004-05-19 CN disclosed
CN-1381454-A Process for preparing oxazolidone amines UPJOHN CO (US) 2002-11-27 CN disclosed
CN-1082953-C Process for preparing oxazolidinones UPJOHN CO (US) 2002-04-17 CN disclosed
EP-1114819-A1 Process to prepare oxazolidinones PHARMACIA & UPJOHN COMPANY (US) 2001-07-11 EP disclosed
CN-1215393-A Process for preparing oxazolidinones UPJOHN CO (US) 1999-04-28 CN 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-20070060558-A1 Hybrid molecules QA where Q is an aminoquinoline and A is an antibiotic residue, the synthesis and uses thereof as antibacterial agents QARS1, QPCT, QTRT2 MAOA 1016/4885MAOB 1323/4885PTGS1 3142/4885
US-20060293307-A1 Oxazolidinone derivatives as antimicrobials OXA1L, PDK4, SDHA MAOA 1568/4885MAOB 1976/4885PTGS1 3175/4885

“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.