SCHEMBL3188680

SCHEMBL3188680

COc1c(F)ccc(CC#N)c1F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.44
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 1/20 0.33
CYP19A1 P11511 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL31287875 0.86 MEP1B (0.35) MEP1BALDH1A1GAAPDCD1LG2CD274
SCHEMBL6356440 0.84 AOC3 (0.38) ALDH1A1
SCHEMBL30936908 0.83 ALOX5AP (0.39) MEP1B
SCHEMBL14116964 0.79 CCNB2 (0.32) ALDH1A1
SCHEMBL27725691 0.79 SLC6A2 (0.40) ALDH1A1GAA
SCHEMBL16964370 0.78 ALDH1A1 (0.33) MEP1BALDH1A1GAA
SCHEMBL14203437 0.77 MEP1B (0.53) MEP1BROCK2ROCK1CYP19A1ALDH1A1
SCHEMBL332998 0.77 HPGD (0.33) ALDH1A1
SCHEMBL29942400 0.77 HPGD (0.33) ALDH1A1
SCHEMBL15983859 0.76 MEP1B (0.49) MEP1BROCK2ROCK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1993323-B Indole, indazole or indoline derivatives HOFFMANN LA ROCHE 2011-04-20 CN disclosed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 US disclosed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 US disclosed
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 EP disclosed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 WO disclosed
CN-1993323-A Indole, indazole or indoline derivatives HOFFMANN LA ROCHE (CH) 2007-07-04 CN 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-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GCGR, GPR65 MEP1B 802/4885ROCK2 1912/4885ROCK1 1601/4885

“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.