SCHEMBL26682082

SCHEMBL26682082

CCN(CC)C(=O)c1ccc(N2CCN(Cc3cc(OC(F)(F)F)cc(-c4cccc(O)c4)c3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.44
▸ OPRK1 P41145 4/20 0.44
▸ OPRM1 P35372 4/20 0.44
▸ CHRM3 P20309 1/20 0.40
▸ PPARD Q03181 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ LSS P48449 1/20 0.38

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
SCHEMBL26681870 0.91 ITGB3 (0.43) OPRD1OPRM1CHRM3ITGB3ITGA2B
SCHEMBL26681257 0.89 OPRD1 (0.45) OPRD1OPRK1OPRM1CHRM3ITGB3
SCHEMBL26681657 0.89 DRD2 (0.41) OPRD1OPRK1OPRM1PPARDPPARA
SCHEMBL26682956 0.88 ITGB3 (0.44) CHRM3PPARDPPARAITGB3ITGA2B
SCHEMBL26682643 0.87 OPRD1 (0.44) OPRD1OPRK1OPRM1ITGB3ITGA2B
SCHEMBL26682468 0.87 OPRD1 (0.49) OPRD1OPRK1OPRM1PPARDPPARA
SCHEMBL30687743 0.85 CHRM3 (0.46) CHRM3
SCHEMBL26682995 0.85 CHRM3 (0.46) CHRM3
SCHEMBL30687628 0.84 SLC6A9 (0.36) OPRD1OPRK1OPRM1CHRM3PPARD
SCHEMBL26682347 0.84 SLC6A9 (0.36) OPRD1OPRK1OPRM1CHRM3PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-04-25 — — US disclosed
EP-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 — — 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-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP MGMT, MCL1, FANCF OPRD1 3827/4885OPRK1 4067/4885OPRM1 2601/4885

“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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