SCHEMBL13873857

SCHEMBL13873857

O=C(NCc1cccc(OC(F)(F)F)c1)N1CCC(Cc2cccnc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.57
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ KIT P10721 1/20 0.49
▸ CHRM4 P08173 1/20 0.49
▸ ROCK2 O75116 3/20 0.48
▸ ROCK1 Q13464 1/20 0.48
▸ NAMPT P43490 4/20 0.48
▸ KDM5A P29375 1/20 0.48
▸ KDM4C Q9H3R0 1/20 0.48
▸ KDM5B Q9UGL1 1/20 0.48
▸ EPHX2 P34913 2/20 0.47
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2J2 P51589 1/20 0.46
▸ IGF1R P08069 1/20 0.44
▸ ALK Q9UM73 1/20 0.44
▸ GLS O94925 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
SCHEMBL13873751 0.84 EPHX2 (0.57) FAAHMEN1KMT2AKITCHRM4
SCHEMBL13873811 0.84 EPHX2 (0.55) FAAHKITROCK2ROCK1NAMPT
SCHEMBL13873678 0.83 EPHX2 (0.64) FAAHMEN1KMT2AROCK2NAMPT
SCHEMBL13873786 0.81 EPHX2 (0.69) KITCHRM4ROCK2ROCK1NAMPT
SCHEMBL13873770 0.81 EPHX2 (0.53) FAAHKMT2AKITCHRM4ROCK2
SCHEMBL13873686 0.81 MEN1 (0.65) FAAHMEN1KMT2ANAMPT
SCHEMBL13874085 0.80 CCR3 (0.51) MEN1KMT2ACHRM4EPHX2
SCHEMBL13873830 0.79 EPHX2 (0.52) KMT2AKITROCK2ROCK1NAMPT
SCHEMBL13873761 0.79 EPHX2 (0.67) MEN1KMT2AKITCHRM4ROCK2
SCHEMBL13873859 0.79 MEN1 (0.54) FAAHMEN1KMT2AKITNAMPT

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 FAAH 11/4885MEN1 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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