SCHEMBL13873404

SCHEMBL13873404

O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC(Oc2ncccn2)CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.65
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 1/20 0.63
CYP2J2 P51589 1/20 0.60
POLB P06746 1/20 0.57
NTRK1 P04629 1/20 0.54
KCNH2 Q12809 1/20 0.54
NTRK3 Q16288 1/20 0.54
NTRK2 Q16620 1/20 0.54
TRPV1 Q8NER1 1/20 0.52
EPHX1 P07099 1/20 0.50
FAAH O00519 1/20 0.50
GOT1 P17174 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
KIT P10721 1/20 0.49

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
SCHEMBL13873292 0.85 EPHX2 (0.69) EPHX2CYP2C9CYP2C19POLBNTRK1
SCHEMBL13873493 0.81 EPHX2 (0.74) EPHX2CYP2C9CYP2C19POLBNTRK1
SCHEMBL15271601 0.80 EPHX2 (0.71) EPHX2EPHX1FAAH
SCHEMBL19358916 0.80 EPHX2 (0.68) EPHX2CYP2C9CYP2C19POLBNTRK1
SCHEMBL13873290 0.79 EPHX2 (1.00) EPHX2CYP2C9CYP2C19POLBTRPV1
SCHEMBL13623458 0.78 EPHX2 (0.84) EPHX2CYP2C9CYP2C19POLBEPHX1
SCHEMBL13873289 0.78 EPHX2 (0.75) EPHX2CYP2C9CYP2C19POLBEPHX1
SCHEMBL13873761 0.78 EPHX2 (0.67) EPHX2CYP2C9CYP2C19CYP2J2KCNH2
SCHEMBL14413880 0.77 EPHX2 (1.00) EPHX2CYP2C9CYP2C19POLBEPHX1
SCHEMBL4558228 0.77 EPHX2 (0.91) EPHX2CYP2C9CYP2C19POLBTRPV1

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.