SCHEMBL13873822

SCHEMBL13873822

O=C(NCc1ccc(F)cc1Cl)N1CCC(c2cccnc2)C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 5/20 0.52
▸ SPR P35270 1/20 0.52
▸ EPHX2 P34913 10/20 0.51
▸ CYP2C9 P11712 3/20 0.51
▸ CYP2J2 P51589 3/20 0.51
▸ NAMPT P43490 1/20 0.49
▸ HSD11B1 P28845 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL13873821 0.90 EPHX2 (0.58) P2RX7SPREPHX2CYP2C9CYP2J2
SCHEMBL13873856 0.88 EPHX2 (0.61) P2RX7SPREPHX2CYP2C9CYP2J2
SCHEMBL13873840 0.85 EPHX2 (0.62) P2RX7EPHX2CYP2C9CYP2J2NAMPT
SCHEMBL13873787 0.83 SPR (0.54) P2RX7SPREPHX2CYP2C9CYP2J2
SCHEMBL13873871 0.81 EPHX2 (0.56) P2RX7SPREPHX2CYP2C9CYP2J2
SCHEMBL13873638 0.79 EPHX2 (0.81) SPREPHX2CYP2C9CYP2J2NAMPT
SCHEMBL13873854 0.78 EPHX2 (0.67) SPREPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL13873820 0.78 CYP2C9 (0.53) P2RX7SPREPHX2CYP2C9CYP2J2
SCHEMBL13873818 0.77 EPHX2 (0.73) SPREPHX2CYP2C9CYP2J2NAMPT
SCHEMBL13873637 0.77 CYP2C9 (0.57) SPREPHX2CYP2C9CYP2J2NAMPT

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 P2RX7 1781/4885SPR 61/4885EPHX2 2/4885

“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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