Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2551823

Cl.Cl.Cl.NCCCNCCCCNCCCNC(=O)CCc1ccc(O)cc1

nearest known ligand 0.76

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 13)

geneUniProtsupporting neighboursconfidence
CHRNA1 known ✓ P02708 2/20 0.56
CHRNG known ✓ P07510 2/20 0.56
CHRNB1 known ✓ P11230 2/20 0.56
CHRND known ✓ Q07001 2/20 0.56
CHRNB4 known ✓ P30926 1/20 0.56
CHRNA3 known ✓ P32297 1/20 0.56
GRIN1 known ✓ Q05586 1/20 0.56
GRIN2A known ✓ Q12879 1/20 0.56
GRIA1 P42261 8/20 0.61
CHRNB2 P17787 1/20 0.56
CHRNA4 P43681 1/20 0.56
GRM1 Q13255 1/20 0.56
POLB P06746 1/20 0.51

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
SCHEMBL647437 0.99 GRIA1 (0.62) GRIA1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL398742 0.85 CHRNA1 (0.64) GRIA1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL9447580 0.83 CHRNA1 (0.59) GRIA1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL30420740 0.83 TRPV1 (0.54) GRIA1POLB
SCHEMBL3400509 0.82 TRPV1 (0.53) GRIA1POLB
SCHEMBL19365038 0.81 HPGD (0.54) POLB
SCHEMBL10422361 0.80 L3MBTL1 (0.63)
SCHEMBL15231167 0.80 CA1 (0.68)
Hydrochloric Acid SCHEMBL11326814 0.79 CA1 (0.63)
SCHEMBL5263499 0.79 TRPV1 (0.57) POLB

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12121526-B2 Targeting NCCA-ATP channel for organ protection following ischemic episode THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2024-10-22 US disclosed
US-20230142111-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-11 US disclosed
US-20220193096-A1 INHIBITORS OF NCCA-ATP CHANNELS FOR THERAPY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2022-06-23 US disclosed
US-11213494-B2 Compositions and methods for the treatment of pervasive development disorders CASE WESTERN RESERVE UNIVERSITY (US) 2022-01-04 US disclosed
US-20210113589-A1 TARGETING NCCA-ATP CHANNEL FOR ORGAN PROTECTION FOLLOWING ISCHEMIC EPISODE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2021-04-22 US disclosed
US-10898496-B2 Targeting NCCa-ATP channel for organ protection following ischemic episode UNIVERSITY OF MARYLAND, BALTIMORE (US) 2021-01-26 US disclosed
US-10555916-B2 NMDAR antagonist for the treatment of pervasive development disorders CASE WESTERN RESERVE UNIVERSITY (US) 2020-02-11 US disclosed
EP-3485882-A1 COMPOSITIONS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS Case Western Reserve University (US) 2019-05-22 EP disclosed
US-20190117672-A1 TARGETING NCCA-ATP CHANNEL FOR ORGAN PROTECTION FOLLOWING ISCHEMIC EPISODE UNIVERSITY OF MARYLAND, BALTIMORE 2019-04-25 US disclosed
US-20190111137-A1 METHODS FOR ANTAGONISTS OF A NON-SELECTIVE CATION CHANNEL IN NEURAL CELLS UNIVERSITY OF MARYLAND, BALTIMORE 2019-04-18 US disclosed
US-20100311639-A1 INHIBITORS OF NCCA-ATP CHANNELS FOR THERAPY MARYLAND, BALTIMORE, UNIVERSITY OF 2010-12-09 US disclosed
US-20100143347-A1 TARGETING NCCA-ATP CHANNEL FOR ORGAN PROTECTION FOLLOWING ISCHEMIC EPISODE THE UNIVERSITY OF MARYLAND, BALTIMORE 2010-06-10 US disclosed
US-20100092469-A1 ANTAGONISTS OF A NON-SELECTIVE CATION CHANNEL IN NEURAL CELLS THE U.S. OF AMERICA AS REPRESENTED BY THE DEPT OF VETERANS AFFAIRS 2010-04-15 US disclosed
EP-2167107-A2 INHIBITORS OF NCCA-ATP CHANNELS FOR THERAPY University of Maryland, Baltimore (US) 2010-03-31 EP disclosed
EP-2114160-A1 ANTAGONISTS OF A NON-SELECTIVE CATION CHANNEL IN NEURAL CELLS University of Maryland, Baltimore (US) 2009-11-11 EP disclosed
EP-2111224-A2 TARGETING NCCA-ATP CHANNEL FOR ORGAN PROTECTION FOLLOWING ISCHEMIC EPISODE University of Maryland, Baltimore (US) 2009-10-28 EP disclosed
WO-2009002832-A2 INHIBITORS OF NCCA-ATP CHANNELS FOR THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2008-12-31 WO disclosed
WO-2008098160-A1 ANTAGONISTS OF A NON-SELECTIVE CATION CHANNEL IN NEURAL CELLS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2008-08-14 WO disclosed
WO-2008089103-A2 TARGETING NCCA-ATP CHANNEL FOR ORGAN PROTECTION FOLLOWING ISCHEMIC EPISODE UNIVERSITY OF MARYLAND, BALTIMORE (US) 2008-07-24 WO disclosed
WO-2007029063-A2 TREATMENT AND/OR PREVENTION OF PERVASIVE DEVELOPMENTAL DISORDERS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2007-03-15 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 (3 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-20230142111-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS GRIN2D, GRIN2A, GRIN2C CHRNA1 338/4885CHRNG 1078/4885CHRNB1 478/4885
US-11213494-B2 Compositions and methods for the treatment of pervasive development disorders GRIN2A, GRIN2C, GRIN2D CHRNA1 303/4885CHRNG 986/4885CHRNB1 408/4885
US-10555916-B2 NMDAR antagonist for the treatment of pervasive development disorders MECP2, GRIN2A, GRIN2B CHRNA1 661/4885CHRNG 1727/4885CHRNB1 740/4885

“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.