Hydrochloric Acid

Hydrochloric Acid

SCHEMBL14889141

CCN(Cc1ccccn1)C(=O)Cc1c(-c2ccc(C)cc2)nc2cc(C)ccn12.Cl

nearest known ligand 0.98

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
▸ CHRM1 known ✓ P11229 1/20 0.46
▸ GABRA1 known ✓ P14867 1/20 0.46
▸ GABRB1 known ✓ P18505 1/20 0.46
▸ GABRG2 known ✓ P18507 1/20 0.46
▸ GABRB3 known ✓ P28472 1/20 0.46
▸ GABRA3 known ✓ P34903 1/20 0.46
▸ ADRA1A known ✓ P35348 1/20 0.46
▸ OPRK1 known ✓ P41145 1/20 0.46
▸ HTR2B known ✓ P41595 1/20 0.46
▸ GABRA2 known ✓ P47869 1/20 0.46
▸ GABRB2 known ✓ P47870 1/20 0.46
▸ KCNH2 known ✓ Q12809 1/20 0.46
▸ TRPM8 Q7Z2W7 1/20 0.53
▸ TSPO P30536 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALB P02768 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46

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
SCHEMBL12071496 0.99 TRPM8 (0.53) TRPM8TSPONPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL14889145 0.94 TSPO (0.54) TSPOALBOPRK1GABRA2GABRB2
SCHEMBL12071924 0.93 TSPO (0.55) TSPOALBOPRK1GABRA2GABRB2
Hydrochloric Acid SCHEMBL14889110 0.92 TRPM8 (0.51) TRPM8TSPONPC1RAB9A
SCHEMBL14889105 0.91 TRPM8 (0.52) TRPM8TSPONPC1RAB9A
SCHEMBL30589254 0.91 TRPM8 (0.52) TRPM8TSPONPC1RAB9A
Hydrochloric Acid SCHEMBL14889139 0.90 TSPO (0.46) TRPM8TSPONPC1RAB9AGABRA2
SCHEMBL14889119 0.89 TSPO (0.46) TRPM8TSPONPC1RAB9AGABRA2
SCHEMBL30589259 0.89 TSPO (0.46) TRPM8TSPONPC1RAB9AGABRA2
Hydrochloric Acid SCHEMBL14889118 0.88 TSPO (0.44) TRPM8TSPONPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293537-A1 USE OF ACETAMIDE DERIVATIVE IN PREVENTION AND TREATMENT OF ALZHEIMER'S DISEASE ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2023-09-21 — — US claimed
CN-113908162-A Application of acetamide derivative in preparation of medicine for preventing and treating Alzheimer's disease 中国人民解放军军事科学院军事医学研究院 2022-01-11 — — CN claimed
EP-2586780-B1 2-ARYL IMIDAZO[1,2-A]PYRIDINE-3-ACETAMIDE DERIVATIVES, PREPARATION METHODS AND USE THEREOF INST PHARMACOLOGY & TOXICOLOGY ACAD MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2017-03-22 — — EP claimed
US-8980887-B2 2-aryl imidazo[1,2-a]pyridine-3-acetamide derivatives, preparation methods and uses thereof INSTITUTE OF PHARMACOLOGY (CN) 2015-03-17 — — US claimed
EP-2586780-A1 2-ARYL IMIDAZO[1,2-A]PYRIDINE-3-ACETAMIDE DERIVATIVES, PREPARATION METHODS AND USE THEREOF Institute Of Pharmacology And Toxicology Academy Of Military Medical Sciences P.L.A. China (CN) 2013-05-01 — — EP claimed
US-20230293537-A1 USE OF ACETAMIDE DERIVATIVE IN PREVENTION AND TREATMENT OF ALZHEIMER'S DISEASE ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2023-09-21 — — US disclosed
EP-2586780-B1 2-ARYL IMIDAZO[1,2-A]PYRIDINE-3-ACETAMIDE DERIVATIVES, PREPARATION METHODS AND USE THEREOF INST PHARMACOLOGY & TOXICOLOGY ACAD MILITARY MEDICAL SCIENCES PLA CHINA (CN) 2017-03-22 — — EP disclosed
US-8980887-B2 2-aryl imidazo[1,2-a]pyridine-3-acetamide derivatives, preparation methods and uses thereof INSTITUTE OF PHARMACOLOGY (CN) 2015-03-17 — — US disclosed
US-20130203754-A1 2-Aryl Imidazo[1,2-a]Pyridine-3-Acetamide Derivatives, Preparation Methods and Uses Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2013-08-08 — — US disclosed
EP-2586780-A1 2-ARYL IMIDAZO[1,2-A]PYRIDINE-3-ACETAMIDE DERIVATIVES, PREPARATION METHODS AND USE THEREOF Institute Of Pharmacology And Toxicology Academy Of Military Medical Sciences P.L.A. China (CN) 2013-05-01 — — EP 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-20230293537-A1 USE OF ACETAMIDE DERIVATIVE IN PREVENTION AND TREATMENT OF ALZHEIMER'S DISEASE ACHE, APP, NAAA CHRM1 394/4885GABRA1 1859/4885GABRB1 2066/4885
US-20130203754-A1 2-Aryl Imidazo[1,2-a]Pyridine-3-Acetamide Derivatives, Preparation Methods and Uses Thereof TSPO, SLC6A1, TBXA2R CHRM1 72/4885GABRA1 11/4885GABRB1 44/4885

“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.

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