SCHEMBL3326536

SCHEMBL3326536

CCC(C)N1CCN(C(=O)[C@H]2CC[C@@H](Nc3ccc(C(F)(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.56
UBE2M P61081 3/20 0.41
DCUN1D1 Q96GG9 3/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3324161 1.00 EPHX2 (0.56) EPHX2UBE2MDCUN1D1PTGS1PTGS2
SCHEMBL3324162 1.00 EPHX2 (0.56) EPHX2UBE2MDCUN1D1PTGS1PTGS2
SCHEMBL3325308 0.90 EPHX2 (0.60) EPHX2PTGS1PTGS2MAPK1
SCHEMBL3326649 0.90 EPHX2 (0.60) EPHX2PTGS1PTGS2MAPK1
SCHEMBL3325304 0.90 EPHX2 (0.60) EPHX2PTGS1PTGS2MAPK1
SCHEMBL3329336 0.84 EPHX2 (0.43) EPHX2MAPK1KDM4ESMN1; SMN2
SCHEMBL3329332 0.84 EPHX2 (0.43) EPHX2MAPK1KDM4ESMN1; SMN2
SCHEMBL3325713 0.80 EPHX2 (0.55) EPHX2
SCHEMBL3326746 0.80 EPHX2 (0.55) EPHX2
SCHEMBL3325715 0.80 EPHX2 (0.55) 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 3709/4885UBE2M 4773/4885DCUN1D1 4272/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 EPHX2 3709/4885UBE2M 4773/4885DCUN1D1 4272/4885

“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.