SCHEMBL13873770

SCHEMBL13873770

O=C(NCc1cccc(OC(F)(F)F)c1)N1CCC(Oc2cnccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.53
▸ CYP2C9 P11712 3/20 0.53
▸ CYP2J2 P51589 2/20 0.52
▸ GLS O94925 1/20 0.48
▸ KIT P10721 1/20 0.48
▸ ROCK2 O75116 3/20 0.46
▸ ROCK1 Q13464 1/20 0.46
▸ NAMPT P43490 3/20 0.46
▸ KDM5A P29375 1/20 0.46
▸ KDM4C Q9H3R0 1/20 0.46
▸ KDM5B Q9UGL1 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ CHRM4 P08173 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ MAOA P21397 1/20 0.42

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
SCHEMBL13874899 0.89 EPHX2 (0.57) EPHX2CYP2C9CYP2J2KITROCK2
SCHEMBL13873761 0.86 EPHX2 (0.67) EPHX2CYP2C9CYP2J2KITROCK2
SCHEMBL13873786 0.86 EPHX2 (0.69) EPHX2CYP2C9CYP2J2KITROCK2
SCHEMBL13873830 0.82 EPHX2 (0.52) EPHX2CYP2C9CYP2J2GLSKIT
SCHEMBL13873583 0.82 EPHX2 (0.75) EPHX2CYP2C9CYP2J2ROCK2
SCHEMBL13873824 0.82 EPHX2 (0.59) EPHX2CYP2C9CYP2J2KITNAMPT
SCHEMBL13873857 0.81 FAAH (0.57) EPHX2CYP2C9CYP2J2GLSKIT
SCHEMBL13873771 0.81 EPHX2 (0.57) EPHX2CYP2C9CYP2J2KITNAMPT
SCHEMBL13873594 0.81 EPHX2 (0.58) EPHX2CYP2C9CYP2J2TSHRKMT2A
SCHEMBL13873591 0.79 EPHX2 (0.55) EPHX2CYP2C9TSHRKMT2AFAAH

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.

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