SCHEMBL13108599

SCHEMBL13108599

Cc1cc(N[C@H](CN)CC(=O)OC(C)(C)C)ccc1C#N

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 4/20 0.36
▸ GLA P06280 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ S1PR3 Q99500 1/20 0.33
▸ AR P10275 3/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ CACNA1H O95180 1/20 0.32
▸ MRGPRX4 Q96LA9 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
SCHEMBL13108596 0.90 AAK1 (0.37) AAK1GLAALDH1A1TRPA1KDM4E
SCHEMBL13108606 0.90 AAK1 (0.37) AAK1GLAALDH1A1TRPA1KDM4E
SCHEMBL27777719 0.88 AR (0.40) ALDH1A1GAAAR
SCHEMBL12345110 0.88 AR (0.40) ALDH1A1GAAAR
SCHEMBL14267462 0.83 AAK1 (0.34) AAK1GLAALDH1A1TRPA1KDM4E
SCHEMBL13108597 0.83 KDM4E (0.41) AAK1GLAALDH1A1TRPA1KDM4E
SCHEMBL13108595 0.80 STAT3 (0.35) AAK1ALDH1A1CYP2C19S1PR3AR
SCHEMBL14300268 0.79 GAA (0.31) ALDH1A1KDM4EGAAMAPTAR
SCHEMBL13108613 0.78 MAPT (0.40) GLAALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL28779023 0.78 AR (0.43) ALDH1A1GAAAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816395-B2 Pyrrolidinone anilines as progesterone receptor modulators GLAXOSMITHKLINE LLC (US) 2010-10-19 — — US disclosed
US-20100210706-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2010-08-19 — — US disclosed
US-20080039517-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS GLAXOSMITHKLINE LLC 2008-02-14 — — 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-20080039517-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 AAK1 1884/4885GLA 3692/4885ALDH1A1 1336/4885
US-20100210706-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 AAK1 1884/4885GLA 3692/4885ALDH1A1 1336/4885

“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.

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