SCHEMBL3474964

SCHEMBL3474964

CNc1nccc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 20/20 0.77
CYP2C9 P11712 13/20 0.75
CYP3A4 P08684 1/20 0.59

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
SCHEMBL2790708 0.87 EPHX2 (1.00) EPHX2CYP2C9
SCHEMBL3474360 0.87 EPHX2 (0.63) EPHX2CYP2C9
SCHEMBL2260526 0.85 EPHX2 (1.00) EPHX2CYP2C9CYP3A4
SCHEMBL2260321 0.85 EPHX2 (0.84) EPHX2CYP2C9CYP3A4
SCHEMBL3471782 0.85 EPHX2 (0.79) EPHX2CYP2C9CYP3A4
SCHEMBL3474826 0.83 EPHX2 (0.76) EPHX2CYP2C9
SCHEMBL2261854 0.82 EPHX2 (1.00) EPHX2CYP2C9
SCHEMBL2259128 0.81 EPHX2 (1.00) EPHX2CYP2C9CYP3A4
SCHEMBL2259994 0.81 EPHX2 (0.87) EPHX2CYP2C9CYP3A4
SCHEMBL2260201 0.81 EPHX2 (0.86) EPHX2CYP2C9CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324076-A1 Novel sEH Inhibitors and their Use GLAXOSMITHKLINE LLC 2010-12-23 US claimed
US-20100324076-A1 Novel sEH Inhibitors and their Use GLAXOSMITHKLINE LLC 2010-12-23 US disclosed
US-20100324076-A1 Novel sEH Inhibitors and their Use GLAXOSMITHKLINE LLC 2010-12-23 US disclosed
US-20100324076-A1 Novel sEH Inhibitors and their Use GLAXOSMITHKLINE LLC 2010-12-23 US 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-20100324076-A1 Novel sEH Inhibitors and their Use EPHX1, NCEH1, PCSK9 EPHX2 5/4885CYP2C9 201/4885CYP3A4 164/4885

“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.