SCHEMBL2583856

SCHEMBL2583856

COc1nc(N(C(=O)O)C(C)(C)C)cc(C)c1CN

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
POLB P06746 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL554992 0.84 DPP4 (0.34)
SCHEMBL2595112 0.71 MAPK8 (0.40) OPRM1OPRK1POLBGAA
SCHEMBL5009716 0.69 OPRM1 (0.38) OPRM1OPRK1POLBGAA
SCHEMBL14730133 0.68 SCN9A (0.38)
Hydrochloric Acid SCHEMBL30785586 0.68 OPRM1 (0.38) OPRM1OPRK1POLBGAA
Hydrochloric Acid SCHEMBL5012186 0.68 OPRM1 (0.38) OPRM1OPRK1POLBGAA
SCHEMBL17221283 0.68 NOS3 (0.36) POLB
SCHEMBL554729 0.68 KDM4E (0.36)
SCHEMBL2593658 0.67 PDE4A (0.34) POLBGAA
SCHEMBL9887464 0.67 KDM4A (0.39)

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-9562041-B2 Enhancer of zeste homolog 2 inhibitors GLAXOSMITHKLINE LLC (US) 2017-02-07 US disclosed
US-9402836-B2 Indoles GLAXOSMITHKLINE LLC (US) 2016-08-02 US disclosed
US-20150313887-A1 INDOLES GLAXOSMITHKLINE LLC 2015-11-05 US disclosed
US-20150126522-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE LLC (US) 2015-05-07 US disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 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 (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-20150313887-A1 INDOLES IDO1, IDO2, INMT OPRM1 960/4885OPRK1 225/4885POLB 2211/4885
US-20150126522-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, EZH1, BMI1 OPRM1 4740/4885OPRK1 4641/4885POLB 2294/4885

“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.