SCHEMBL13108606

SCHEMBL13108606

CC[C@H](CC(=O)OC(C)(C)C)Nc1ccc(C#N)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 4/20 0.37
▸ BLM P54132 1/20 0.36
▸ GLA P06280 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ 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
▸ CTSK P43235 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ AR P10275 3/20 0.33
▸ PGR P06401 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ CACNA1H O95180 1/20 0.33

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 0.91 AAK1 (0.37) AAK1BLMGLAALDH1A1TRPA1
SCHEMBL13108599 0.90 AAK1 (0.36) AAK1BLMGLAALDH1A1TRPA1
SCHEMBL13108613 0.88 MAPT (0.40) BLMGLAALDH1A1KDM4ECYP1A2
SCHEMBL14267462 0.84 AAK1 (0.34) AAK1BLMGLAALDH1A1TRPA1
SCHEMBL13108597 0.84 KDM4E (0.41) AAK1BLMGLAALDH1A1TRPA1
SCHEMBL13108615 0.83 BLM (0.40) BLMALDH1A1KDM4EGAAMAPT
SCHEMBL13108595 0.81 STAT3 (0.35) AAK1ALDH1A1CYP2C19S1PR3AR
SCHEMBL13108640 0.81 RORC (0.39) ALDH1A1GAAAR
SCHEMBL28779023 0.79 AR (0.43) ALDH1A1GAAAR
SCHEMBL13108620 0.79 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 1884/4885BLM 4788/4885GLA 3692/4885
US-20100210706-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 AAK1 1884/4885BLM 4788/4885GLA 3692/4885

“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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