SCHEMBL3326481

SCHEMBL3326481

COc1ccc(NC2CCC(C(=O)N3CCN(C4CCCC4)CC3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TSHR P16473 2/20 0.53
KMT2A Q03164 1/20 0.53
PKM P14618 2/20 0.51
MTNR1B P49286 4/20 0.50
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
MTNR1A P48039 2/20 0.49
ACACB O00763 1/20 0.48
ACACA Q13085 1/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.46
CCR2 P41597 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL3323667 0.85 EPHX2 (0.59)
SCHEMBL3325414 0.85 EPHX2 (0.59)
SCHEMBL3323665 0.85 EPHX2 (0.59)
SCHEMBL3328297 0.85 MEN1 (0.52) ALDH1A1KMT2APOLB
SCHEMBL3326172 0.84 LMNA (0.55) KMT2APOLB
SCHEMBL3327455 0.84 HRH3 (0.53) POLB
SCHEMBL3326174 0.84 LMNA (0.55) KMT2APOLB
SCHEMBL3330185 0.83 HRH3 (0.52) ALDH1A1KMT2AKDM4E
SCHEMBL3324027 0.83 HRH3 (0.52) ALDH1A1KMT2AKDM4E
SCHEMBL3330189 0.83 HRH3 (0.52) ALDH1A1KMT2AKDM4E

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
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 ALDH1A1 405/4885TSHR 97/4885KMT2A 291/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 ALDH1A1 405/4885TSHR 97/4885KMT2A 291/4885

“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.