SCHEMBL3425865

SCHEMBL3425865

O=C(NCc1ccc2[nH]ccc2c1)c1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.56
EPHX2 P34913 10/20 0.55
TRPV1 Q8NER1 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
PPARG P37231 2/20 0.48
DGAT1 O75907 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP2J2 P51589 1/20 0.48
KLKB1 P03952 1/20 0.47
KCNH2 Q12809 1/20 0.46
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
METTL3 Q86U44 1/20 0.44
METTL14 Q9HCE5 1/20 0.44

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
SCHEMBL3403931 0.89 CHRNA7 (0.52) CHRNA7EPHX2PPARGKLKB1KCNH2
SCHEMBL7987284 0.87 EPHX2 (0.56) CHRNA7EPHX2TRPV1L3MBTL1DGAT1
SCHEMBL3426508 0.87 EPHX2 (0.56) CHRNA7EPHX2TRPV1L3MBTL1DGAT1
SCHEMBL3405026 0.87 CHRNA7 (0.49) CHRNA7EPHX2PPARGKLKB1CACNA1G
SCHEMBL4302834 0.85 HDAC1 (0.49) CHRNA7EPHX2PPARGKLKB1CACNA1G
SCHEMBL3425209 0.85 CHRNA7 (0.58) CHRNA7EPHX2PPARGKLKB1KCNH2
SCHEMBL3427843 0.85 CHRNA7 (0.59) CHRNA7EPHX2PPARGKLKB1KCNH2
SCHEMBL3430975 0.85 CHRNA7 (0.48) CHRNA7EPHX2PPARGCYP2C9KLKB1
SCHEMBL3401931 0.84 ALDH1A1 (0.57) EPHX2TRPV1KLKB1
SCHEMBL4306623 0.84 EPHX2 (0.47) CHRNA7EPHX2PPARGKLKB1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250162-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-17 EP claimed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US claimed
WO-2009100294-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-08-13 WO 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
EP-2250162-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-17 EP disclosed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US disclosed
WO-2009100294-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-08-13 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-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA2, CHRNA4, CHRNA5 CHRNA7 8/4885EPHX2 3581/4885TRPV1 111/4885

“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.