SCHEMBL13025152

SCHEMBL13025152

CNc1ccnc(N2CCC(C(=O)NCc3ccccc3CF)CC2)n1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.64
ALDH1A1 P00352 1/20 0.64
EPHX2 P34913 16/20 0.58
CYP2C9 P11712 8/20 0.56
KDM4E B2RXH2 3/20 0.54
POLB P06746 1/20 0.53

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
SCHEMBL3474826 0.88 EPHX2 (0.76) RXFP1ALDH1A1EPHX2CYP2C9
SCHEMBL12383714 0.80 EPHX2 (0.82) EPHX2CYP2C9
SCHEMBL12385395 0.79 EPHX2 (0.80) EPHX2CYP2C9KDM4E
SCHEMBL12383746 0.79 EPHX2 (0.80) EPHX2CYP2C9KDM4E
SCHEMBL12385462 0.79 EPHX2 (0.71) EPHX2CYP2C9KDM4E
SCHEMBL12385715 0.78 EPHX2 (0.66) EPHX2CYP2C9KDM4E
SCHEMBL12385590 0.77 EPHX2 (0.64) RXFP1ALDH1A1EPHX2CYP2C9KDM4E
SCHEMBL12385582 0.77 EPHX2 (0.69) EPHX2CYP2C9KDM4E
SCHEMBL12383112 0.77 EPHX2 (0.69) EPHX2CYP2C9KDM4E
SCHEMBL12383115 0.77 EPHX2 (0.64) EPHX2CYP2C9KDM4E

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 1 patent. 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 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 RXFP1 2691/4885ALDH1A1 445/4885EPHX2 5/4885

“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.