SCHEMBL3323679

SCHEMBL3323679

O=C(C1CCC(Nc2ccc(OCC3CC3)nc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.44
HRH3 Q9Y5N1 10/20 0.42
NAMPT P43490 3/20 0.41
TACR3 P29371 1/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL3326105 0.87 HRH3 (0.48) IRAK4HRH3NAMPT
SCHEMBL3324831 0.87 HRH3 (0.48) IRAK4HRH3NAMPT
SCHEMBL3324834 0.87 HRH3 (0.48) IRAK4HRH3NAMPT
SCHEMBL3324150 0.84 HRH3 (0.42) IRAK4HRH3NAMPTKCNH2
SCHEMBL3326061 0.82 IRAK4 (0.46) IRAK4HRH3
SCHEMBL3326886 0.78 HRH3 (0.59) IRAK4HRH3
SCHEMBL3330755 0.78 HRH3 (0.59) IRAK4HRH3
SCHEMBL3326883 0.78 HRH3 (0.59) IRAK4HRH3
SCHEMBL3324520 0.78 HRH3 (0.56) HRH3KCNH2
SCHEMBL3325886 0.78 HRH3 (0.56) HRH3KCNH2

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 IRAK4 1660/4885HRH3 1/4885NAMPT 4389/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 IRAK4 1660/4885HRH3 1/4885NAMPT 4389/4885

“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.