SCHEMBL7987284

SCHEMBL7987284

O=C(NCc1ccc2[nH]c(C(F)(F)F)cc2c1)c1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.56
DGAT1 O75907 1/20 0.49
TRPV1 Q8NER1 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP2J2 P51589 1/20 0.47
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.43
PTGES O14684 2/20 0.43
CHRNA7 P36544 1/20 0.43

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
SCHEMBL3401931 0.89 ALDH1A1 (0.57) EPHX2TRPV1ALDH1A1MEN1KMT2A
SCHEMBL7999517 0.88 ALDH1A1 (0.44) EPHX2ALDH1A1MEN1KMT2AHTT
SCHEMBL3425865 0.87 CHRNA7 (0.56) EPHX2DGAT1TRPV1L3MBTL1CYP2C9
SCHEMBL1111610 0.87 EPHX2 (0.49) EPHX2DGAT1ALDH1A1MEN1KMT2A
SCHEMBL7987320 0.86 ITK (0.49) EPHX2CYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL11981731 0.85 ALDH1A1 (0.44) EPHX2ALDH1A1MEN1KMT2AHTT
SCHEMBL1111647 0.85 ALDH1A1 (0.44) EPHX2ALDH1A1MEN1KMT2AHTT
SCHEMBL12958860 0.85 ALDH1A1 (0.48) EPHX2ALDH1A1MEN1KMT2AHTT
SCHEMBL8002663 0.83 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AHTT
SCHEMBL12900635 0.83 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHTTCHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283365-B2 Indole modulators of the alpha 7 nicotinic acetylcholine receptor PROXIMAGEN LIMITED (GB) 2012-10-09 US claimed
EP-2279184-B1 INDOLE MODULATORS OF THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR PROXIMAGEN LTD (GB) 2012-08-08 EP claimed
US-8283365-B2 Indole modulators of the alpha 7 nicotinic acetylcholine receptor PROXIMAGEN LIMITED (GB) 2012-10-09 US disclosed
US-8283365-B2 Indole modulators of the alpha 7 nicotinic acetylcholine receptor PROXIMAGEN LIMITED (GB) 2012-10-09 US disclosed
US-8283365-B2 Indole modulators of the alpha 7 nicotinic acetylcholine receptor PROXIMAGEN LIMITED (GB) 2012-10-09 US disclosed
EP-2279184-B1 INDOLE MODULATORS OF THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR PROXIMAGEN LTD (GB) 2012-08-08 EP disclosed
US-20110034515-A1 INDOLE MODULATORS OF THE ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-10 US disclosed
US-20110034515-A1 INDOLE MODULATORS OF THE ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-10 US disclosed
WO-2009127678-A1 INDOLES AS MODULATORS OF NICOTINIC ACETYLCHOLIN RECEPTOR SUBTYPE ALPHA-71 GLAXO GROUP LIMITED (GB) 2009-10-22 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-20110034515-A1 INDOLE MODULATORS OF THE ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR CHRNA7, CHRNA5, CHRNG EPHX2 1668/4885DGAT1 1972/4885TRPV1 217/4885

“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.