SCHEMBL13874899

SCHEMBL13874899

O=C(NCc1cccc(OC(F)(F)F)c1)N1CCC(Oc2ccccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 7/20 0.57
▸ CYP2C9 P11712 4/20 0.57
▸ CYP2J2 P51589 4/20 0.57
▸ KIT P10721 1/20 0.51
▸ KCNH2 Q12809 1/20 0.47
▸ SCN5A Q14524 1/20 0.47
▸ SCN9A Q15858 1/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ CHRM4 P08173 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ ROCK1 Q13464 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ CYP2C19 P33261 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CHRNA7 P36544 1/20 0.43
▸ MGLL Q99685 1/20 0.42
▸ LOXL2 Q9Y4K0 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
SCHEMBL13873761 0.90 EPHX2 (0.67) EPHX2CYP2C9CYP2J2KITKCNH2
SCHEMBL13873770 0.89 EPHX2 (0.53) EPHX2CYP2C9CYP2J2KITNAMPT
SCHEMBL13873786 0.86 EPHX2 (0.69) EPHX2CYP2C9CYP2J2KITNAMPT
SCHEMBL13873751 0.84 EPHX2 (0.57) EPHX2CYP2C9CYP2J2KITKCNH2
SCHEMBL13873824 0.83 EPHX2 (0.59) EPHX2CYP2C9CYP2J2KITNAMPT
SCHEMBL13873442 0.82 EPHX2 (0.82) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL13874900 0.80 EPHX2 (0.52) EPHX2CYP2C9CYP2J2KITSCN5A
SCHEMBL13873857 0.77 FAAH (0.57) EPHX2CYP2C9CYP2J2KITNAMPT
SCHEMBL13873701 0.77 CHRM4 (0.50) EPHX2KITKCNH2SCN9ANAMPT
SCHEMBL13873543 0.76 EPHX2 (0.60) EPHX2CYP2C9CYP2J2CHRM4CYP2C19

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 2 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

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.

Send feedback