SCHEMBL25009658

SCHEMBL25009658

CC(C)C1CCC(CO)C1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
APLNR P35414 1/20 0.32
EPHX2 P34913 1/20 0.31

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
SCHEMBL13313072 1.00 OPRM1 (0.34) OPRM1APLNREPHX2
SCHEMBL12418401 1.00 OPRM1 (0.34) OPRM1APLNREPHX2
SCHEMBL12418400 1.00 OPRM1 (0.34) OPRM1APLNREPHX2
SCHEMBL12418402 1.00 OPRM1 (0.34) OPRM1APLNREPHX2
SCHEMBL10094034 1.00 OPRM1 (0.34) OPRM1APLNREPHX2
SCHEMBL13293170 0.86 ESR1 (0.31) OPRM1APLNR
SCHEMBL13295357 0.86 ESR1 (0.31) OPRM1APLNR
SCHEMBL13295359 0.86 ESR1 (0.31) OPRM1APLNR
SCHEMBL19604527 0.86 ESR1 (0.31) OPRM1APLNR
SCHEMBL13295360 0.86 ESR1 (0.31) OPRM1APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230040182-A1 ARYL HETEROBICYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 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 (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-20230040182-A1 ARYL HETEROBICYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNB1, KCNJ2, KCNB2 OPRM1 2165/4885APLNR 4021/4885EPHX2 4020/4885

“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.