SCHEMBL3325311

SCHEMBL3325311

Cc1ccc(NC2CCC(C(=O)N3CCN(C4CCCC4)CC3)CC2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.54
USP2 O75604 1/20 0.47
HTT P42858 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
EPHX2 P34913 1/20 0.47
CCR2 P41597 1/20 0.46
KCNH2 Q12809 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HRH3 Q9Y5N1 1/20 0.43
POLB P06746 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3325863 1.00 GFER (0.54) GFERUSP2HTTNPC1RAB9A
SCHEMBL3327126 0.98 GFER (0.51) GFERUSP2HTTNPC1RAB9A
SCHEMBL3326338 0.98 GFER (0.51) GFERUSP2HTTNPC1RAB9A
SCHEMBL3330874 0.98 GFER (0.51) GFERUSP2HTTNPC1RAB9A
SCHEMBL3323850 0.95 GFER (0.50) GFERUSP2HTTNPC1RAB9A
SCHEMBL3326172 0.85 LMNA (0.55) HTTHRH3POLBMEN1KMT2A
SCHEMBL3326174 0.85 LMNA (0.55) HTTHRH3POLBMEN1KMT2A
SCHEMBL3324820 0.83 GFER (0.49) GFERUSP2HTTNPC1RAB9A
SCHEMBL3324826 0.83 GFER (0.49) GFERUSP2HTTNPC1RAB9A
SCHEMBL3326261 0.83 GFER (0.49) GFERUSP2HTTNPC1RAB9A

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 GFER 3334/4885USP2 4638/4885HTT 1420/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 GFER 3334/4885USP2 4638/4885HTT 1420/4885

“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.