SCHEMBL13873783

SCHEMBL13873783

O=C(NCc1ccc(Cl)cc1Cl)N1CCC(Cc2cccnc2)C1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 18/20 0.61
▸ SPR P35270 1/20 0.61
▸ CYP2C9 P11712 3/20 0.55
▸ CYP2J2 P51589 3/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ P2RX7 Q99572 1/20 0.55

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
SCHEMBL13873868 0.94 EPHX2 (0.68) EPHX2SPRCYP2C9CYP2J2CYP2C19
SCHEMBL13873787 0.91 SPR (0.54) EPHX2SPRCYP2C9CYP2J2CYP2C19
SCHEMBL13873871 0.85 EPHX2 (0.56) EPHX2SPRCYP2C9CYP2J2CYP2C19
SCHEMBL13873337 0.83 EPHX2 (0.63) EPHX2CYP2C9CYP2J2CYP2C19P2RX7
SCHEMBL13873821 0.83 EPHX2 (0.58) EPHX2SPRCYP2C9CYP2J2CYP2C19
SCHEMBL13873388 0.81 EPHX2 (0.64) EPHX2CYP2C9CYP2J2CYP2C19P2RX7
SCHEMBL13873782 0.80 MEN1 (0.51) EPHX2SPRCYP2C9
SCHEMBL13873810 0.80 EPHX2 (0.60) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL13873601 0.79 SPR (0.54) EPHX2SPRCYP2C9
SCHEMBL13873778 0.79 MEN1 (0.51) EPHX2SPRCYP2C9

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 2/4885SPR 61/4885CYP2C9 477/4885

“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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