SCHEMBL3323665

SCHEMBL3323665

O=C(C1CCC(Nc2ccc(OC(F)(F)F)cc2)CC1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 19/20 0.59
EPHX1 P07099 3/20 0.46
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL3325414 1.00 EPHX2 (0.59) EPHX2EPHX1CYP2C9CYP2C19
SCHEMBL3323667 1.00 EPHX2 (0.59) EPHX2EPHX1CYP2C9CYP2C19
SCHEMBL3325008 0.98 EPHX2 (0.59) EPHX2EPHX1CYP2C9CYP2C19
SCHEMBL3321987 0.98 EPHX2 (0.59) EPHX2EPHX1CYP2C9CYP2C19
SCHEMBL3321991 0.98 EPHX2 (0.59) EPHX2EPHX1CYP2C9CYP2C19
SCHEMBL3326481 0.85 ALDH1A1 (0.53)
SCHEMBL3324551 0.85 EPHX2 (0.57) EPHX2
SCHEMBL3324547 0.85 EPHX2 (0.57) EPHX2
SCHEMBL2403542 0.85 DPP4 (0.58) EPHX2
SCHEMBL2403540 0.85 DPP4 (0.58) 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 5 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
CN-101374825-A Cyclohexyl piperazinyl methanone derivatives and their use as histamine h3 receptor modulators HOFFMANN LA ROCHE (CH) 2009-02-25 CN disclosed
EP-1976840-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES AND THEIR USE AS HISTAMINE H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-08 EP disclosed
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HOFFMANN-LA ROCHE INC. 2007-07-19 US disclosed
WO-2007080140-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES AND THEIR USE AS HISTAMINE H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-19 WO 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 2498/4885CYP2C9 1107/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 EPHX2 3709/4885EPHX1 2498/4885CYP2C9 1107/4885

“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.