SCHEMBL29688160

SCHEMBL29688160

CNC(=O)c1ccc(C[C@@H](CN)NC(=O)OC(C)(C)C)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.42
▸ OPRD1 P41143 4/20 0.42
▸ SGK1 O00141 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ LATS1 O95835 1/20 0.41
▸ PRKCG P05129 1/20 0.41
▸ PRKCB P05771 1/20 0.41
▸ PRKCA P17252 1/20 0.41
▸ PRKACA P17612 1/20 0.41
▸ PRKACB P22694 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ PRKCH P24723 1/20 0.41
▸ MARK3 P27448 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ AKT2 P31751 1/20 0.41
▸ PRKCI P41743 1/20 0.41
▸ CSNK1A1 P48729 1/20 0.41
▸ CDK7 P50613 1/20 0.41
▸ CDK16 Q00536 1/20 0.41

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
SCHEMBL21447246 1.00 ATM (0.42) ATMOPRD1SGK1ROCK2PRKD3
SCHEMBL28563950 1.00 ATM (0.42) ATMOPRD1SGK1ROCK2PRKD3
SCHEMBL21447244 0.90 ATM (0.43) ATMOPRD1ROCK2PRKACAROCK1
SCHEMBL28564134 0.90 ATM (0.43) ATMOPRD1ROCK2PRKACAROCK1
SCHEMBL30980917 0.90 ATM (0.43) ATMOPRD1ROCK2PRKACAROCK1
SCHEMBL23357110 0.84 OPRD1 (0.45) OPRD1SGK1ROCK2PRKD3LATS1
SCHEMBL23357107 0.84 OPRD1 (0.45) OPRD1SGK1ROCK2PRKD3LATS1
SCHEMBL23357223 0.83 PTPN1 (0.56) OPRD1PTPN1CTSSCTSKCTSB
SCHEMBL23357220 0.83 PTPN1 (0.56) OPRD1PTPN1CTSSCTSKCTSB
SCHEMBL21447570 0.83 KLK5 (0.48) OPRD1OPRM1PTPN1CTSSCTSK

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
CN-112867705-B Opioid receptor modulators and products and methods related thereto 埃皮欧黛公司 2024-08-20 — — CN disclosed
EP-3774722-B1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE INC (US) 2024-07-24 — — EP disclosed
US-11352316-B2 Opioid receptor modulators and products and methods related thereto EPIODYNE, INC. (US) 2022-06-07 — — 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-11352316-B2 Opioid receptor modulators and products and methods related thereto OPRM1, OPRD1, OPRK1 ATM 4529/4885OPRD1 2/4885SGK1 4497/4885

“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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