SCHEMBL13108613

SCHEMBL13108613

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.40
▸ GAA P10253 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ BLM P54132 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.38
▸ S1PR3 Q99500 2/20 0.36
▸ IMPDH2 P12268 1/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ AR P10275 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PGR P06401 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL13108606 0.88 AAK1 (0.37) MAPTGAAKDM4ECYP1A2GLA
SCHEMBL13108615 0.87 BLM (0.40) MAPTGAAKDM4EBLMALDH1A1
SCHEMBL13108596 0.79 AAK1 (0.37) MAPTGAAKDM4ECYP1A2GLA
SCHEMBL13108599 0.78 AAK1 (0.36) MAPTGAAKDM4ECYP1A2GLA
SCHEMBL27756864 0.75 RORC (0.41) MAPTGAAKDM4ECYP1A2GLA
SCHEMBL13108633 0.75 RORC (0.41) MAPTGAAKDM4ECYP1A2GLA
SCHEMBL13108619 0.75 RORC (0.40) MAPTGAAKDM4ECYP1A2GLA
SCHEMBL27756872 0.75 RORC (0.40) MAPTGAAKDM4ECYP1A2GLA
SCHEMBL13108641 0.74 RORC (0.40) MAPTGAAKDM4ECYP1A2GLA
SCHEMBL14267462 0.73 AAK1 (0.34) MAPTGAAKDM4ECYP1A2GLA

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 MAPT 3546/4885GAA 4768/4885KDM4E 888/4885
US-20100210706-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 MAPT 3546/4885GAA 4768/4885KDM4E 888/4885

“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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