SCHEMBL3474826

SCHEMBL3474826

CNc1ccnc(N2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)n1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 19/20 0.76
CYP2C9 P11712 13/20 0.75
ALDH1A1 P00352 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61

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
SCHEMBL13025152 0.88 RXFP1 (0.64) EPHX2CYP2C9ALDH1A1RXFP1
SCHEMBL3473963 0.86 EPHX2 (1.00) EPHX2CYP2C9
SCHEMBL2260526 0.85 EPHX2 (1.00) EPHX2CYP2C9
SCHEMBL2260321 0.85 EPHX2 (0.84) EPHX2CYP2C9
SCHEMBL3473450 0.84 EPHX2 (0.79) EPHX2CYP2C9
SCHEMBL3474964 0.83 EPHX2 (0.77) EPHX2CYP2C9
SCHEMBL2261854 0.82 EPHX2 (1.00) EPHX2CYP2C9
SCHEMBL2260163 0.82 EPHX2 (0.81) EPHX2CYP2C9
SCHEMBL2258419 0.82 EPHX2 (0.91) EPHX2CYP2C9
SCHEMBL2259994 0.81 EPHX2 (0.87) EPHX2CYP2C9

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-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

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 201/4885ALDH1A1 445/4885

“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.