SCHEMBL3329286

SCHEMBL3329286

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

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MLNR O43193 6/20 0.43
CYP3A4 P08684 4/20 0.43
HRH3 Q9Y5N1 2/20 0.41
GFER P55789 3/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL3329284 1.00 MLNR (0.43) MLNRCYP3A4HRH3GFERKMT2A
SCHEMBL3325385 0.89 POLB (0.44) GFERKMT2A
SCHEMBL3325323 0.89 POLB (0.44) GFERKMT2A
SCHEMBL3325327 0.89 POLB (0.44) GFERKMT2A
SCHEMBL3330716 0.86 EPHX2 (0.52)
SCHEMBL3327511 0.86 EPHX2 (0.52)
SCHEMBL3327508 0.86 EPHX2 (0.52)
SCHEMBL3323817 0.84 EPHX2 (0.53) MLNRGFER
SCHEMBL3331354 0.84 EPHX2 (0.53) MLNRGFER
SCHEMBL3323813 0.84 EPHX2 (0.53) MLNRGFER

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 MLNR 163/4885CYP3A4 568/4885HRH3 1/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 MLNR 163/4885CYP3A4 568/4885HRH3 1/4885

“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.