SCHEMBL3427835

SCHEMBL3427835

O=C(NCc1ccc2cc[nH]c2c1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.59
NR1H4 Q96RI1 1/20 0.59
MAPK14 Q16539 1/20 0.55
HTR2C P28335 2/20 0.52
PPARG P37231 2/20 0.52
PPARA Q07869 2/20 0.52
NAMPT P43490 1/20 0.50
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
TRPV1 Q8NER1 6/20 0.49
ESR1 P03372 1/20 0.47
NLRP3 Q96P20 1/20 0.47
GHSR Q92847 1/20 0.46
CHRNA7 P36544 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL3425693 0.91 EPHX2 (0.59) EPHX2NR1H4MAPK14HTR2CPPARG
SCHEMBL4300349 0.87 CHRNA7 (0.51) EPHX2NR1H4MAPK14PPARGESR1
SCHEMBL3430068 0.85 KMT2A (0.56) EPHX2NR1H4PPARG
SCHEMBL3403917 0.84 EPHX2 (0.50) EPHX2NR1H4NAMPTESR1NLRP3
SCHEMBL3427000 0.84 METTL3 (0.48) EPHX2NR1H4MAPK14HTR2CROCK2
SCHEMBL3402537 0.83 MAPK14 (0.61) EPHX2NR1H4MAPK14PPARGPPARA
SCHEMBL3400492 0.83 EPHX2 (0.58) EPHX2NR1H4ROCK2ROCK1
SCHEMBL3401577 0.82 NR1H4 (0.59) NR1H4NAMPTNLRP3
SCHEMBL3425821 0.82 EPHX2 (0.59) EPHX2NR1H4PPARGNAMPTESR1
SCHEMBL3424734 0.82 MAPK14 (0.61) MAPK14NLRP3CHRNA7

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
CN-101990537-A Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LAB 2011-03-23 CN 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
CN-101990537-A Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LAB 2011-03-23 CN 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 EPHX2 3581/4885NR1H4 1031/4885MAPK14 2264/4885

“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.