SCHEMBL4298964

SCHEMBL4298964

CC(=O)n1ccc2cc(CNC(=O)c3ccc(OCC(F)(F)F)nc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.52
CHRNA7 P36544 2/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP2J2 P51589 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DGAT1 O75907 2/20 0.43
TRPV1 Q8NER1 2/20 0.42
KLKB1 P03952 1/20 0.41

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
SCHEMBL3428105 0.89 CHRNA7 (0.58) EPHX2CHRNA7CYP2C9CYP2C19CYP2J2
SCHEMBL3401931 0.77 ALDH1A1 (0.57) EPHX2TRPV1KLKB1
SCHEMBL3425865 0.77 CHRNA7 (0.56) EPHX2CHRNA7CYP2C9CYP2C19CYP2J2
SCHEMBL7987284 0.76 EPHX2 (0.56) EPHX2CHRNA7CYP2C9CYP2C19CYP2J2
SCHEMBL15350075 0.75 EPHX2 (0.55) EPHX2CYP2C9CYP2C19CYP2J2L3MBTL1
SCHEMBL15351096 0.74 EPHX2 (0.59) EPHX2CYP2C9CYP2C19CYP2J2L3MBTL1
SCHEMBL13876156 0.74 EPHX2 (0.81) EPHX2CYP2C9CYP2C19CYP2J2L3MBTL1
SCHEMBL3426508 0.74 EPHX2 (0.56) EPHX2CHRNA7CYP2C9CYP2C19CYP2J2
SCHEMBL3399338 0.73 PRKAB2 (0.65) EPHX2CYP2C9CYP2C19CYP2J2L3MBTL1
SCHEMBL13702303 0.73 L3MBTL1 (0.65) EPHX2CYP2C9CYP2C19CYP2J2L3MBTL1

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
EP-2250162-B1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-19 EP claimed
US-8536221-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC. (US) 2013-09-17 US claimed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US claimed
EP-2250162-B1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-19 EP disclosed
US-8536221-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC. (US) 2013-09-17 US disclosed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 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 (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-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA2, CHRNA4, CHRNA5 EPHX2 3581/4885CHRNA7 8/4885CYP2C9 4689/4885

“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.