SCHEMBL3327460

SCHEMBL3327460

CC(C)N1CCN(C(=O)[C@H]2CC[C@@H](Nc3ccc(C(F)(F)F)nc3)CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.63
EPHX2 P34913 6/20 0.49
TRPV1 Q8NER1 1/20 0.41
USP30 Q70CQ3 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
IDO1 P14902 1/20 0.41
DGAT2 Q96PD7 1/20 0.40
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL3327454 1.00 HRH3 (0.63) HRH3EPHX2TRPV1USP30PIK3CD
SCHEMBL5450405 1.00 HRH3 (0.63) HRH3EPHX2TRPV1USP30PIK3CD
SCHEMBL3325380 0.95 HRH3 (0.58) HRH3EPHX2
SCHEMBL3325382 0.95 HRH3 (0.58) HRH3EPHX2
SCHEMBL5438452 0.84 EPHX2 (0.57) HRH3EPHX2
SCHEMBL3327465 0.84 EPHX2 (0.57) HRH3EPHX2
SCHEMBL3327462 0.84 EPHX2 (0.57) HRH3EPHX2
SCHEMBL3324280 0.84 HRH3 (0.43) HRH3
SCHEMBL3324282 0.84 HRH3 (0.43) HRH3
SCHEMBL3326510 0.83 HRH3 (0.54) HRH3

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 HRH3 1/4885EPHX2 3709/4885TRPV1 247/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 HRH3 1/4885EPHX2 3709/4885TRPV1 247/4885

“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.