SCHEMBL3324924

SCHEMBL3324924

CC(C)N1CCN(C(=O)C2CCC(Nc3cccc(C#N)c3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.53
RORC P51449 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
MLNR O43193 2/20 0.46
CYP3A4 P08684 1/20 0.46
IRAK4 Q9NWZ3 3/20 0.45
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
ACKR3 P25106 1/20 0.41
HIF1A Q16665 1/20 0.41
THRB P10828 1/20 0.41
PAX8 Q06710 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 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
SCHEMBL3325322 0.84 ALDH1A1 (0.46) HRH3CYP3A4ALDH1A1
SCHEMBL3326517 0.84 ALDH1A1 (0.46) HRH3CYP3A4ALDH1A1
SCHEMBL3325324 0.84 ALDH1A1 (0.46) HRH3CYP3A4ALDH1A1
SCHEMBL3325356 0.83 IRAK4 (0.57) MGLLRORCHRH3IRAK4
SCHEMBL3326284 0.81 DPP4 (0.49) RORCHRH3IRAK4ALDH1A1
SCHEMBL3326316 0.81 DPP4 (0.49) RORCHRH3IRAK4ALDH1A1
SCHEMBL4609706 0.81 IRAK4 (0.46) MGLLHRH3IRAK4ALDH1A1
SCHEMBL3326291 0.81 DPP4 (0.49) RORCHRH3IRAK4ALDH1A1
SCHEMBL3326230 0.80 DPP4 (0.52) IRAK4
SCHEMBL3325879 0.80 DPP4 (0.52) IRAK4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES NETTEKOVEN MATTHIAS 2010-05-13 US claimed
CN-101374825-A Cyclohexyl piperazinyl methanone derivatives and their use as histamine h3 receptor modulators HOFFMANN LA ROCHE (CH) 2009-02-25 CN claimed
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 claimed
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HOFFMANN-LA ROCHE INC. 2007-07-19 US claimed
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 claimed
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 MGLL 3707/4885RORC 367/4885HRH3 1/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 MGLL 3707/4885RORC 367/4885HRH3 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.