SCHEMBL13873597

SCHEMBL13873597

O=C(NCc1ccccc1OC(F)(F)F)N1CCC(Cc2cccnc2)C1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.65
▸ CYP2C9 P11712 3/20 0.65
▸ CYP2J2 P51589 3/20 0.65
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ SPR P35270 1/20 0.45
▸ VNN1 O95497 2/20 0.44
▸ FAAH O00519 2/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ SCN9A Q15858 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ CHRM2 P08172 1/20 0.41
▸ CHRM5 P08912 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
SCHEMBL13873678 0.95 EPHX2 (0.64) EPHX2CYP2C9CYP2J2MEN1KMT2A
SCHEMBL13873638 0.84 EPHX2 (0.81) EPHX2CYP2C9CYP2J2SPRROCK2
SCHEMBL13873627 0.83 EPHX2 (0.61) EPHX2CYP2C9CYP2J2MEN1KMT2A
SCHEMBL13873598 0.82 SPR (0.45) EPHX2CYP2C9CYP2J2MEN1KMT2A
SCHEMBL13873782 0.81 MEN1 (0.51) EPHX2CYP2C9MEN1KMT2ASPR
SCHEMBL13874870 0.81 KMT2A (0.53) EPHX2CYP2C9CYP2J2MEN1KMT2A
SCHEMBL13874793 0.80 EPHX2 (0.62) EPHX2CYP2C9CYP2J2MEN1KMT2A
SCHEMBL13873658 0.79 EPHX2 (0.74) EPHX2CYP2C9CYP2J2KMT2AROCK2
SCHEMBL13873787 0.79 SPR (0.54) EPHX2CYP2C9CYP2J2SPRVNN1
SCHEMBL13873446 0.79 EPHX2 (1.00) EPHX2CYP2C9CYP2J2ROCK2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 — — US disclosed
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 — — US disclosed
WO-2007106705-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 — — 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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 EPHX2 2/4885CYP2C9 477/4885CYP2J2 405/4885

“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.

Send feedback