Hydrochloric Acid

Hydrochloric Acid

SCHEMBL25415233

COCCN(CCN1CCOCC1)C(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(C)cn12.Cl

nearest known ligand 0.56

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
▸ GABRB2 known ✓ P47870 4/20 0.56
▸ GABRA1 known ✓ P14867 3/20 0.56
▸ OPRK1 known ✓ P41145 2/20 0.56
▸ KCNH2 known ✓ Q12809 2/20 0.56
▸ GABRA2 known ✓ P47869 2/20 0.56
▸ CHRM1 known ✓ P11229 1/20 0.56
▸ GABRB1 known ✓ P18505 1/20 0.56
▸ GABRG2 known ✓ P18507 1/20 0.56
▸ GABRB3 known ✓ P28472 1/20 0.56
▸ GABRA3 known ✓ P34903 1/20 0.56
▸ ADRA1A known ✓ P35348 1/20 0.56
▸ HTR2B known ✓ P41595 1/20 0.56
▸ OPRM1 known ✓ P35372 1/20 0.47
▸ DRD3 known ✓ P35462 1/20 0.47
▸ PDE4D known ✓ Q08499 1/20 0.47
▸ ALB P02768 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ HPGD P15428 1/20 0.56

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
SCHEMBL12072651 0.99 GABRB2 (0.56) GABRB2GABRA1ALBOPRK1KCNH2
SCHEMBL23624291 0.90 TSPO (0.60) GABRB2GABRA1ALBOPRK1KCNH2
Hydrochloric Acid SCHEMBL25412592 0.89 KDM4E (0.52) GABRB2GABRA1ALBOPRK1KCNH2
SCHEMBL14899705 0.88 KDM4E (0.52) GABRB2GABRA1ALBOPRK1KCNH2
SCHEMBL23624349 0.86 GABRA1 (0.64) GABRB2GABRA1ALBOPRK1KCNH2
SCHEMBL23624253 0.81 TSPO (0.63) GABRB2GABRA1ALBOPRK1KCNH2
SCHEMBL23624351 0.81 TSPO (0.62) GABRB2GABRA1ALBOPRK1KCNH2
SCHEMBL23624272 0.79 TSPO (0.77) GABRB2ALBOPRK1KCNH2GABRA2
Hydrochloric Acid SCHEMBL14889113 0.79 GABRB2 (0.51) GABRB2GABRA1ALBOPRK1KCNH2
SCHEMBL14889213 0.78 GABRB2 (0.52) GABRB2GABRA1ALBOPRK1KCNH2

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 3 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
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

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-20230293537-A1 USE OF ACETAMIDE DERIVATIVE IN PREVENTION AND TREATMENT OF ALZHEIMER'S DISEASE ACHE, APP, NAAA GABRB2 1948/4885GABRA1 1859/4885OPRK1 4025/4885

“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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