SCHEMBL19405282

SCHEMBL19405282

CCCCCCC(C)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
GRM2 Q14416 1/20 0.39
AOC3 Q16853 1/20 0.38
GCGR P47871 1/20 0.38
SLC7A5 Q01650 1/20 0.37
MGLL Q99685 1/20 0.36

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
SCHEMBL22795875 0.98 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1GRM2
SCHEMBL20621398 0.98 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1GRM2
SCHEMBL9285009 0.93 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1AOC3
SCHEMBL9233930 0.93 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1AOC3
SCHEMBL14607991 0.86 AOC3 (0.41) AOC3
SCHEMBL779646 0.86 AOC3 (0.41) AOC3
SCHEMBL21555784 0.85 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1GRM2
SCHEMBL19101512 0.85 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1GRM2
SCHEMBL21555772 0.83 OPRM1 (0.41) OPRM1OPRD1OPRK1OPRL1GRM2
SCHEMBL7471746 0.83 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312576-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER UNIVERSITÉ DE TOURS (FR) 2023-10-05 US disclosed
US-10221161-B2 Inhibitors of plasma kallikrein KALVISTA PHARMACEUTICALS LIMITED (GB) 2019-03-05 US disclosed
US-9926285-B2 Allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2018-03-27 US disclosed
US-9840481-B2 Allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-20170275260-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2017-09-28 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 (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-10221161-B2 Inhibitors of plasma kallikrein KLKB1, SERPINB1, KLK5 OPRM1 3734/4885OPRD1 3300/4885OPRK1 2352/4885
US-20230312576-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER LIMK1, LIMK2, ROCK1 OPRM1 1510/4885OPRD1 420/4885OPRK1 117/4885
US-20170275260-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 OPRM1 69/4885OPRD1 54/4885OPRK1 31/4885

“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.