SCHEMBL2989677

SCHEMBL2989677

CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.68
CHRM2 P08172 1/20 0.68
CHRM4 P08173 1/20 0.68
CHRM5 P08912 1/20 0.68
CHRM3 P20309 1/20 0.68
CCR5 P51681 2/20 0.67
HSD11B1 P28845 11/20 0.65
MAPK1 P28482 2/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.56
HTT P42858 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
SCHEMBL6580262 0.96 CHRM1 (0.76) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL5956482 0.93 CCR5 (0.60) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL13243455 0.92 CHRM1 (0.67) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3004078 0.92 CHRM1 (0.67) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL8863400 0.91 CHRM1 (0.66) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL5386992 0.90 CCR5 (0.69) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL16657347 0.88 CCR5 (0.56) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL5386538 0.88 CCR5 (0.57) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL5386502 0.88 CCR5 (0.62) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL15575477 0.87 CCR5 (0.54) CHRM1CHRM2CHRM4CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113637001-A Synthesis method of droperidol intermediate 安康市农业科学研究院 2021-11-12 CN claimed
EP-3976604-B1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2026-01-21 EP disclosed
CN-111848598-B Heterocyclic compound, application thereof and composition containing same 健艾仕生物医药有限公司 2024-12-10 CN disclosed
US-20230092890-A1 1, 3, 4-Oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORPORATION (KR) 2023-03-23 US disclosed
WO-2023019166-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS CALICO LIFE SCIENCES LLC (US) 2023-02-16 WO disclosed
WO-2022260016-A1 T-TYPE CALCIUM CHANNEL BLOCKER 学校法人近畿大学 2022-12-15 WO disclosed
EP-3976604-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2022-04-06 EP disclosed
CN-113924296-A 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same 株式会社钟根堂 2022-01-11 CN disclosed
CN-113637001-A Synthesis method of droperidol intermediate 安康市农业科学研究院 2021-11-12 CN disclosed
CN-113637001-A Synthesis method of droperidol intermediate 安康市农业科学研究院 2021-11-12 CN disclosed
EP-0812196-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-05-20 EP disclosed
EP-0812196-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1997-12-17 EP disclosed
EP-0755392-A4 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1997-05-02 EP disclosed
EP-0755392-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1997-01-29 EP disclosed
WO-1996025934-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-08-29 WO disclosed
WO-1995028397-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-10-26 WO disclosed
WO-1995007294-A1 PSEUDO- AND NON-PEPTIDE BRADYKININ RECEPTOR ANTAGONISTS SCIOS NOVA INC. (US) 1995-03-16 WO disclosed
US-4446141-A Hypotensive piperidine derivatives KYOWA HAKKO KOGYO CO. (JP) 1984-05-01 US disclosed
EP-0018417-B1 NOVEL PIPERIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1982-06-30 EP disclosed
EP-0018417-A1 Novel piperidine derivatives and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD (JP) 1980-11-12 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 (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-20230092890-A1 1, 3, 4-Oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same HDAC6, HDAC1, HDAC2 CHRM1 3242/4885CHRM2 3674/4885CHRM4 3920/4885

“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.