SCHEMBL13873859

SCHEMBL13873859

O=C(NCc1ccc(C(F)(F)F)nc1)N1CCC(Cc2cccnc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ NAMPT P43490 4/20 0.49
▸ FAAH O00519 2/20 0.48
▸ GRIN2B Q13224 1/20 0.47
▸ KIT P10721 1/20 0.46
▸ VNN1 O95497 3/20 0.46
▸ TSHR P16473 2/20 0.45
▸ LMNA P02545 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CHRM2 P08172 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
SCHEMBL13873777 0.94 NAMPT (0.48) MEN1KMT2ANAMPTGRIN2BKIT
SCHEMBL13873755 0.85 EPHX2 (0.57) MEN1KMT2ANAMPTGRIN2BKIT
SCHEMBL13873815 0.82 CYP2C9 (0.49) NAMPTKITVNN1CYP2C9
SCHEMBL13873857 0.79 FAAH (0.57) MEN1KMT2ANAMPTFAAHKIT
SCHEMBL13873771 0.79 EPHX2 (0.57) NAMPTKITCYP2C9CYP2C19
SCHEMBL13873763 0.78 EPHX2 (0.61) NAMPTGRIN2BKITCYP2C9CYP2C19
SCHEMBL13873686 0.78 MEN1 (0.65) MEN1KMT2ANAMPTFAAHGRIN2B
SCHEMBL13873789 0.78 EPHX2 (0.59) NAMPTKITCYP2C9
SCHEMBL13873833 0.78 CYP2C9 (0.57) NAMPTKITCYP2C9
SCHEMBL13873799 0.77 CHRNA7 (0.52) MEN1KMT2ANAMPTKIT

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 MEN1 4174/4885KMT2A 3145/4885NAMPT 1984/4885

“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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