SCHEMBL13873751

SCHEMBL13873751

O=C(NCc1cccc(OC(F)(F)F)c1)N1CCC(Cc2ccccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.57
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ SCN5A Q14524 1/20 0.53
▸ SCN9A Q15858 1/20 0.53
▸ KIT P10721 1/20 0.51
▸ CHRM4 P08173 1/20 0.50
▸ GRIN2B Q13224 1/20 0.49
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2J2 P51589 2/20 0.48
▸ GLS O94925 4/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ ROCK2 O75116 1/20 0.46
▸ ROCK1 Q13464 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ FAAH O00519 1/20 0.44

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
SCHEMBL13873857 0.84 FAAH (0.57) EPHX2MEN1KMT2AKITCHRM4
SCHEMBL13874899 0.84 EPHX2 (0.57) EPHX2MEN1KMT2AKCNH2SCN5A
SCHEMBL13873761 0.82 EPHX2 (0.67) EPHX2MEN1KMT2AKCNH2SCN5A
SCHEMBL13873552 0.82 EPHX2 (0.70) EPHX2MEN1KMT2AGRIN2BCYP2C9
SCHEMBL13873926 0.81 EPHX2 (0.60) EPHX2MEN1KMT2AGRIN2BMAPK14
SCHEMBL12466436 0.80 EPHX2 (0.63) EPHX2MEN1KMT2AKITGRIN2B
SCHEMBL13873755 0.79 EPHX2 (0.57) EPHX2MEN1KMT2ASCN5ASCN9A
SCHEMBL13873786 0.79 EPHX2 (0.69) EPHX2KITCHRM4CYP2C9CYP2J2
SCHEMBL13873556 0.78 EPHX2 (0.52) EPHX2MEN1KMT2ACHRM4GRIN2B
SCHEMBL13874085 0.77 CCR3 (0.51) EPHX2MEN1KMT2ACHRM4SMN1; SMN2

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 2/4885MEN1 4174/4885KMT2A 3145/4885

“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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