SCHEMBL3325902

SCHEMBL3325902

COc1ccc(NC2CCC(C(=O)N3CCN(C(C)C)CC3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
PKM P14618 1/20 0.52
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MTNR1B P49286 4/20 0.47
HRH3 Q9Y5N1 1/20 0.46
MAPT P10636 3/20 0.46
MTNR1A P48039 2/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.45
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 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
SCHEMBL3329515 0.87 POLB (0.43) ALDH1A1PKML3MBTL1MTNR1BHRH3
SCHEMBL3326027 0.87 POLB (0.43) ALDH1A1PKML3MBTL1MTNR1BHRH3
SCHEMBL3325486 0.86 L3MBTL1 (0.48) ALDH1A1L3MBTL1HRH3MAPTTSHR
SCHEMBL3326242 0.86 EPHX2 (0.59)
SCHEMBL3324081 0.86 EPHX2 (0.59)
SCHEMBL3324084 0.86 EPHX2 (0.59)
SCHEMBL3328036 0.85 POLB (0.49) ALDH1A1KDM4EL3MBTL1HRH3MAPT
SCHEMBL3326510 0.85 HRH3 (0.54) ALDH1A1L3MBTL1HRH3GFERKMT2A
SCHEMBL3323894 0.85 POLB (0.49) ALDH1A1KDM4EL3MBTL1HRH3MAPT
SCHEMBL3327503 0.85 HRH3 (0.54) ALDH1A1L3MBTL1HRH3GFERKMT2A

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 8 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
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
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-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HOFFMANN-LA ROCHE INC. 2007-07-19 US claimed
US-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES NETTEKOVEN MATTHIAS 2010-05-13 US 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 ALDH1A1 405/4885PKM 662/4885KDM4E 1294/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 ALDH1A1 405/4885PKM 662/4885KDM4E 1294/4885

“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.