SCHEMBL3327465

SCHEMBL3327465

CC(C)N1CCN(C(=O)[C@H]2CC[C@@H](Nc3ccc(C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.57
HRH3 Q9Y5N1 4/20 0.48
TRPV4 Q9HBA0 1/20 0.47
TEAD1 P28347 2/20 0.47
CCR5 P51681 1/20 0.45

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
SCHEMBL3327462 1.00 EPHX2 (0.57) EPHX2HRH3TRPV4TEAD1CCR5
SCHEMBL5438452 1.00 EPHX2 (0.57) EPHX2HRH3TRPV4TEAD1CCR5
SCHEMBL3325380 0.91 HRH3 (0.58) EPHX2HRH3TRPV4
SCHEMBL3325382 0.91 HRH3 (0.58) EPHX2HRH3TRPV4
SCHEMBL3326510 0.87 HRH3 (0.54) HRH3
SCHEMBL3327503 0.87 HRH3 (0.54) HRH3
SCHEMBL3326514 0.87 HRH3 (0.54) HRH3
SCHEMBL27752283 0.86 ALDH1A1 (0.49) EPHX2HRH3TRPV4
SCHEMBL3325486 0.85 L3MBTL1 (0.48) HRH3
SCHEMBL3324081 0.85 EPHX2 (0.59) EPHX2

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 3709/4885HRH3 1/4885TRPV4 658/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 EPHX2 3709/4885HRH3 1/4885TRPV4 658/4885

“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.