SCHEMBL3048821

SCHEMBL3048821

CC(C)(C)OC(=O)n1ncc2cc(-c3ccc(C=O)cc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.46
EGFR P00533 1/20 0.42
ITK Q08881 1/20 0.42
ROCK2 O75116 3/20 0.42
ROCK1 Q13464 2/20 0.42
DYRK1A Q13627 2/20 0.42
CHEK2 O96017 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KA3 P51812 1/20 0.42
PAK1 Q13153 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
TAOK1 Q7L7X3 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
GSK3B P49841 2/20 0.42
EEF2K O00418 1/20 0.42
MAP4K4 O95819 1/20 0.42
CLK2 P49760 1/20 0.42
PRKX P51817 1/20 0.42
NEK4 P51957 1/20 0.42
PRKG2 Q13237 1/20 0.42

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
SCHEMBL2977108 0.90 EGFR (0.45) GPR119EGFRITKROCK2ROCK1
SCHEMBL3695597 0.84 EGFR (0.46) GPR119EGFRITKROCK2ROCK1
SCHEMBL3330463 0.83 CYP2A6 (0.39) GPR119EGFRITKROCK2ROCK1
SCHEMBL31225449 0.80 MAPT (0.54) GPR119EGFRITKROCK2ROCK1
SCHEMBL31414297 0.78 ROCK2 (0.49) GPR119EGFRITKROCK2ROCK1
SCHEMBL13539429 0.78 SLC22A12 (0.52) GPR119EGFRITKROCK2ROCK1
SCHEMBL20139305 0.78 ROCK2 (0.49) GPR119EGFRITKROCK2ROCK1
SCHEMBL27664801 0.78 EGFR (0.44) GPR119EGFRITKROCK2ROCK1
SCHEMBL2481963 0.77 EGFR (0.48) GPR119EGFRITKROCK2ROCK1
SCHEMBL625971 0.77 TAOK1 (0.65) GPR119EGFRITKROCK2ROCK1

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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US disclosed
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US disclosed
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US disclosed
WO-2008021851-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 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 (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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 GPR119 86/4885EGFR 1277/4885ITK 3482/4885

“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.