SCHEMBL13873757

SCHEMBL13873757

O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCC(Cc2ccccn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.58
CYP2C9 P11712 2/20 0.58
TPSAB1 Q15661 8/20 0.48
OPRM1 P35372 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CHRM4 P08173 2/20 0.45
FAAH O00519 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
MTOR P42345 1/20 0.43
RAB9A P51151 1/20 0.43
GRIN2B Q13224 1/20 0.43

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
SCHEMBL13873864 0.82 EPHX2 (0.61) EPHX2CYP2C9TPSAB1MEN1KMT2A
SCHEMBL13873554 0.80 EPHX2 (0.59) EPHX2MEN1KMT2ACHRM4FAAH
SCHEMBL13873767 0.80 EPHX2 (0.73) EPHX2CYP2C9TPSAB1OPRM1MEN1
SCHEMBL7330210 0.78 OPRM1 (0.48) EPHX2CYP2C9OPRM1MEN1KMT2A
SCHEMBL13873779 0.77 EPHX2 (0.62) EPHX2CYP2C9TPSAB1MEN1KMT2A
SCHEMBL13873758 0.77 EPHX2 (0.56) EPHX2MEN1KMT2ACHRM4FAAH
SCHEMBL13873921 0.76 EPHX2 (0.57) EPHX2TPSAB1MEN1KMT2ACHRM4
SCHEMBL13873718 0.76 EPHX2 (0.55) EPHX2CYP2C9TPSAB1MEN1KMT2A
SCHEMBL27648403 0.74 KDM4E (0.59) EPHX2MEN1KMT2AFAAH
SCHEMBL13873794 0.74 EPHX2 (0.73) EPHX2CYP2C9TPSAB1OPRM1MEN1

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 477/4885TPSAB1 615/4885

“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.