SCHEMBL21447418

SCHEMBL21447418

CNC(=O)c1ccc(C[C@@H](CNC(=O)c2ccc(C)cc2C)N(C)C)cc1F

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 12/20 0.59
▸ OPRM1 P35372 8/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ OPRK1 P41145 4/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL21447367 0.82 OPRD1 (0.64) OPRD1OPRM1OPRK1ALDH1A1
SCHEMBL21447366 0.82 OPRD1 (0.64) OPRD1OPRM1OPRK1ALDH1A1
SCHEMBL30980868 0.82 OPRD1 (0.64) OPRD1OPRM1OPRK1ALDH1A1
SCHEMBL21447427 0.82 OPRD1 (0.60) OPRD1OPRM1OPRK1ALDH1A1LMNA
SCHEMBL23357025 0.81 SMN1; SMN2 (0.49) OPRD1OPRM1SMN1; SMN2HTTOPRK1
SCHEMBL21447463 0.81 SMN1; SMN2 (0.49) OPRD1OPRM1SMN1; SMN2HTTOPRK1
SCHEMBL30980901 0.81 SMN1; SMN2 (0.49) OPRD1OPRM1SMN1; SMN2HTTOPRK1
SCHEMBL23375498 0.80 OPRD1 (0.63) OPRD1OPRM1OPRK1ALDH1A1LMNA
SCHEMBL23375715 0.80 OPRD1 (0.63) OPRD1OPRM1OPRK1ALDH1A1LMNA
SCHEMBL21447664 0.80 SMN1; SMN2 (0.48) OPRD1OPRM1SMN1; SMN2HTTOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352316-B2 Opioid receptor modulators and products and methods related thereto EPIODYNE, INC. (US) 2022-06-07 — — US disclosed
US-20210163402-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE, INC. 2021-06-03 — — US disclosed
US-20210147343-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE, INC. 2021-05-20 — — US disclosed
WO-2019195634-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE, INC. (US) 2019-10-10 — — WO 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 (3 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 OPRD1 2/4885OPRM1 1/4885SMN1; SMN2 3077/4885
US-20210163402-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO OPRM1, OPRD1, OPRK1 OPRD1 2/4885OPRM1 1/4885SMN1; SMN2 3077/4885
US-20210147343-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO OPRM1, OPRD1, OPRK1 OPRD1 2/4885OPRM1 1/4885SMN1; SMN2 3470/4885

“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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