SCHEMBL30181583

SCHEMBL30181583

O=C1N(CC(F)(F)C(F)(F)F)c2ccccc2C12CC2

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.45
C5AR1 P21730 2/20 0.42
OPRM1 P35372 4/20 0.41
OPRK1 P41145 3/20 0.41
AOC2 O75106 1/20 0.40
ALDH1A1 P00352 1/20 0.39
EGLN1 Q9GZT9 2/20 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
SCHEMBL30181581 0.88 OPRL1 (0.47) OPRL1C5AR1OPRM1OPRK1AOC2
SCHEMBL23994024 0.88 OPRL1 (0.47) OPRL1C5AR1OPRM1OPRK1AOC2
SCHEMBL23994241 0.85 OPRL1 (0.45) OPRL1C5AR1OPRM1OPRK1AOC2
SCHEMBL30181942 0.84 OPRL1 (0.44) OPRL1C5AR1OPRM1OPRK1AOC2
SCHEMBL23993157 0.82 OPRL1 (0.48) OPRL1C5AR1OPRM1OPRK1ALDH1A1
SCHEMBL23991954 0.82 OPRL1 (0.48) OPRL1C5AR1OPRM1OPRK1ALDH1A1
SCHEMBL30181783 0.82 OPRL1 (0.48) OPRL1C5AR1OPRM1OPRK1ALDH1A1
SCHEMBL23994227 0.81 DDR1 (0.35) OPRL1OPRM1ALDH1A1
SCHEMBL30224278 0.81 DDR1 (0.35) OPRL1OPRM1ALDH1A1
SCHEMBL24204185 0.80 OPRL1 (0.43) OPRL1C5AR1OPRM1OPRK1ALDH1A1

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-12110294-B2 CD73 compounds GILEAD SCIENCES, INC. (US) 2024-10-08 US disclosed
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 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 (2 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E OPRL1 2154/4885C5AR1 1101/4885OPRM1 2621/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E OPRL1 2020/4885C5AR1 896/4885OPRM1 2153/4885

“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.