SCHEMBL13873286

SCHEMBL13873286

O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 15/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
POLB P06746 1/20 0.59
BLM P54132 1/20 0.54
MLYCD O95822 1/20 0.52
EPHX1 P07099 1/20 0.52

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
SCHEMBL13873287 0.88 EPHX2 (0.77) EPHX2CYP2C9CYP2C19POLBEPHX1
SCHEMBL13634099 0.88 EPHX2 (0.75) EPHX2CYP2C9CYP2C19POLBBLM
SCHEMBL14413880 0.81 EPHX2 (1.00) EPHX2CYP2C9CYP2C19POLBEPHX1
SCHEMBL13873290 0.81 EPHX2 (1.00) EPHX2CYP2C9CYP2C19POLBEPHX1
SCHEMBL23486691 0.81 TSHR (0.60) EPHX2CYP2C9CYP2C19BLM
SCHEMBL13873289 0.80 EPHX2 (0.75) EPHX2CYP2C9CYP2C19POLBEPHX1
SCHEMBL4558228 0.79 EPHX2 (0.91) EPHX2CYP2C9CYP2C19POLB
SCHEMBL13873298 0.79 EPHX2 (1.00) EPHX2CYP2C9CYP2C19POLBEPHX1
SCHEMBL14965755 0.78 EPHX2 (0.50) EPHX2CYP2C9CYP2C19POLB
SCHEMBL23573338 0.78 EPHX2 (0.72) EPHX2CYP2C9CYP2C19POLBEPHX1

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 477/4885CYP2C19 1179/4885

“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.