SCHEMBL13873840

SCHEMBL13873840

O=C(NCc1ccc(F)cc1Cl)N1CCC(c2cnccn2)C1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 12/20 0.62
▸ CYP2C9 P11712 4/20 0.62
▸ NAMPT P43490 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CYP2J2 P51589 3/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ P2RX7 Q99572 4/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL13873416 0.90 EPHX2 (0.58) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL13873822 0.85 P2RX7 (0.52) EPHX2CYP2C9NAMPTSMN1; SMN2L3MBTL1
SCHEMBL13873856 0.84 EPHX2 (0.61) EPHX2CYP2C9SMN1; SMN2L3MBTL1CYP2J2
SCHEMBL13873787 0.78 SPR (0.54) EPHX2CYP2C9SMN1; SMN2L3MBTL1CYP2J2
SCHEMBL13873658 0.78 EPHX2 (0.74) EPHX2CYP2C9NAMPTCYP2J2P2RX7
SCHEMBL13873839 0.77 CYP2C9 (0.55) EPHX2CYP2C9NAMPTCYP2J2P2RX7
SCHEMBL13873836 0.77 EPHX2 (1.00) EPHX2CYP2C9NAMPTSMN1; SMN2CYP2J2
SCHEMBL13873834 0.76 EPHX2 (0.58) EPHX2CYP2C9SMN1; SMN2CYP2J2MEN1
SCHEMBL13873657 0.76 CYP2C9 (0.54) EPHX2CYP2C9NAMPTCYP2J2
SCHEMBL13873871 0.76 EPHX2 (0.56) EPHX2CYP2C9CYP2J2CYP2C19P2RX7

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 2/4885CYP2C9 477/4885NAMPT 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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