SCHEMBL3330716

SCHEMBL3330716

CC(C)N1CCN(C(=O)[C@H]2CC[C@H](Nc3ccc(OC(F)(F)F)cc3)CC2)CC1C

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 19/20 0.52
EPHX1 P07099 2/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL3327511 1.00 EPHX2 (0.52) EPHX2EPHX1POLB
SCHEMBL3327508 1.00 EPHX2 (0.52) EPHX2EPHX1POLB
SCHEMBL3329284 0.86 MLNR (0.43)
SCHEMBL3329286 0.86 MLNR (0.43)
SCHEMBL3326242 0.85 EPHX2 (0.59) EPHX2EPHX1
SCHEMBL3324084 0.85 EPHX2 (0.59) EPHX2EPHX1
SCHEMBL3324081 0.85 EPHX2 (0.59) EPHX2EPHX1
SCHEMBL3325385 0.83 POLB (0.44) POLB
SCHEMBL3325327 0.83 POLB (0.44) POLB
SCHEMBL3325323 0.83 POLB (0.44) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES NETTEKOVEN MATTHIAS 2010-05-13 US disclosed
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HOFFMANN-LA ROCHE INC. 2007-07-19 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 (2 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-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES HRH3, HRH4, HRH1 EPHX2 3709/4885EPHX1 2498/4885POLB 1288/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 EPHX2 3709/4885EPHX1 2498/4885POLB 1288/4885

“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.