SCHEMBL3322221

SCHEMBL3322221

O=C(C1CCC(Nc2ccc(C(F)(F)F)cc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.57
HRH3 Q9Y5N1 3/20 0.48
TRPV4 Q9HBA0 1/20 0.47
POLB P06746 1/20 0.46
CCR2 P41597 1/20 0.46
KCNH2 Q12809 1/20 0.46
CCR3 P51677 2/20 0.45
RHOC P08134 1/20 0.44
RHOA P61586 1/20 0.44
CCRL2 O00421 1/20 0.44
CNR2 P34972 1/20 0.43

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
SCHEMBL3325966 1.00 EPHX2 (0.57) EPHX2HRH3TRPV4POLBCCR2
SCHEMBL3322224 1.00 EPHX2 (0.57) EPHX2HRH3TRPV4POLBCCR2
SCHEMBL3324547 0.98 EPHX2 (0.57) EPHX2HRH3TRPV4POLBCCR2
SCHEMBL3324551 0.98 EPHX2 (0.57) EPHX2HRH3TRPV4POLBCCR2
SCHEMBL3325886 0.87 HRH3 (0.56) HRH3KCNH2
SCHEMBL3324522 0.87 HRH3 (0.56) HRH3KCNH2
SCHEMBL3324520 0.87 HRH3 (0.56) HRH3KCNH2
SCHEMBL3325008 0.85 EPHX2 (0.59) EPHX2
SCHEMBL3321991 0.85 EPHX2 (0.59) EPHX2
SCHEMBL3321987 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 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
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
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.