SCHEMBL13873777

SCHEMBL13873777

O=C(NCc1ccc(C(F)(F)F)nc1)N1CCC(Cc2cccnc2)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.48
▸ VNN1 O95497 3/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ SPR P35270 1/20 0.47
▸ CHRNA7 P36544 3/20 0.45
▸ TSHR P16473 2/20 0.44
▸ GRIN2B Q13224 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KIT P10721 1/20 0.43

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
SCHEMBL13873859 0.94 MEN1 (0.54) NAMPTVNN1MEN1KMT2ATSHR
SCHEMBL13873815 0.84 CYP2C9 (0.49) NAMPTVNN1SPRCHRNA7KIT
SCHEMBL13873799 0.83 CHRNA7 (0.52) NAMPTMEN1KMT2ACHRNA7SMN1; SMN2
SCHEMBL13873833 0.80 CYP2C9 (0.57) NAMPTCHRNA7KIT
SCHEMBL13873778 0.80 MEN1 (0.51) VNN1MEN1KMT2ASPRCHRNA7
SCHEMBL13873755 0.79 EPHX2 (0.57) NAMPTMEN1KMT2ACHRNA7TSHR
SCHEMBL13873609 0.79 MEN1 (0.56) NAMPTVNN1MEN1KMT2ASPR
SCHEMBL13873844 0.79 CYP2C9 (0.58) NAMPTCHRNA7KIT
SCHEMBL13873874 0.79 EPHX2 (0.63) NAMPTMEN1KMT2ACHRNA7SMN1; SMN2
SCHEMBL13873597 0.78 EPHX2 (0.65) NAMPTVNN1MEN1KMT2ASPR

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 NAMPT 1984/4885VNN1 966/4885MEN1 4174/4885

“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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