Hydrochloric Acid

Hydrochloric Acid

SCHEMBL245895

COC(=O)C1(N)CCN(OC)CC1.Cl

nearest known ligand 0.40

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 3)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL245896 0.98 NPSR1 (0.34) NPSR1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL7297930 0.82 SCN1A (0.37) NPSR1
Hydrochloric Acid SCHEMBL560976 0.82 GRM4 (0.37) LMNA
Hydrochloric Acid SCHEMBL233616 0.81
Hydrochloric Acid SCHEMBL27585730 0.81 NPSR1 (0.41) NPSR1LMNA
SCHEMBL249363 0.80 GRM4 (0.38) LMNA
SCHEMBL1693046 0.80 SCN1A (0.38) NPSR1
SCHEMBL231396 0.79
Hydrochloric Acid SCHEMBL375108 0.77 NPSR1 (0.43) NPSR1LMNA
Hydrochloric Acid SCHEMBL485571 0.77 NPSR1 (0.48) NPSR1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809542-B2 Spiroheterocyclically substituted tetramic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-11-07 US disclosed
CN-105061426-A Spiroheterocyclic pyrrolidine dione derivatives useful as pesticides SYNGENTA PARTICIPATIONS AG 2015-11-18 CN disclosed
EP-2352375-B1 HERBICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2015-03-25 EP disclosed
US-8722578-B2 Spiroheterocyclic pyrrolidinedione herbicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2014-05-13 US disclosed
EP-2421865-B1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USED AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-07-10 EP disclosed
US-8415369-B2 Spiroheterocyclic pyrrolidine dione derivatives useful as pesticides SYNGENTA CROP PROTECTION LLC (US) 2013-04-09 US disclosed
EP-2197844-B1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-07-25 EP disclosed
EP-2421865-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USED AS PESTICIDES Syngenta Participations AG (CH) 2012-02-29 EP disclosed
US-20120035201-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USED AS PESTICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-09 US disclosed
US-20120004105-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION LLC (US) 2012-01-05 US disclosed
US-20110230351-A1 Spiroheterocyclically Substituted Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2011-09-22 US disclosed
EP-2352375-A2 HERBICIDAL COMPOSITIONS Syngenta Participations AG (CH) 2011-08-10 EP disclosed
US-20100311777-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-09 US disclosed
WO-2010115780-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USED AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-10-14 WO disclosed
EP-2197844-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USEFUL AS PESTICIDES Syngeta Participations AG (CH) 2010-06-23 EP disclosed
WO-2010052161-A2 HERBICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2010-05-14 WO disclosed
WO-2009049851-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-04-23 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 (4 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-20110230351-A1 Spiroheterocyclically Substituted Tetramic Acid Derivatives AGXT, PTPRG, WIZ NPSR1 2182/4885SMN1; SMN2 4393/4885LMNA 3187/4885
US-20120004105-A1 HERBICIDAL COMPOSITIONS DDT, CAT, HDHD5 NPSR1 3431/4885SMN1; SMN2 3310/4885LMNA 3004/4885
US-20100311777-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USEFUL AS PESTICIDES DDT, PKD2, PKD1 NPSR1 325/4885SMN1; SMN2 3146/4885LMNA 2565/4885
US-20120035201-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USED AS PESTICIDES DDT, PKD2, PKD1 NPSR1 465/4885SMN1; SMN2 2581/4885LMNA 2790/4885

“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.