SCHEMBL3170756

SCHEMBL3170756

CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCN(C(=O)N4CCCCC4)CC2)n3-c2cccc(Cl)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 13/20 0.55
CHRNA7 P36544 2/20 0.51
F10 P00742 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
SLC6A4 P31645 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL3160405 0.90 HPGD (0.50) HPGDCHRNA7F10ALDH1A1HRH3
SCHEMBL3165642 0.89 F10 (0.49) HPGDCHRNA7F10ALDH1A1HRH3
SCHEMBL3547541 0.87 HRH3 (0.57) HPGDCHRNA7F10ALDH1A1HRH3
SCHEMBL27760262 0.87 F10 (0.48) HPGDCHRNA7F10ALDH1A1HRH3
SCHEMBL3540269 0.87 F10 (0.48) HPGDCHRNA7F10ALDH1A1HRH3
SCHEMBL3166530 0.87 F10 (0.48) HPGDCHRNA7F10ALDH1A1HRH3
SCHEMBL3160492 0.87 CHRNA7 (0.46) HPGDCHRNA7HRH3
SCHEMBL3166092 0.86 F10 (0.51) HPGDCHRNA7F10ALDH1A1HRH3
SCHEMBL3167059 0.86 F10 (0.47) HPGDCHRNA7F10ALDH1A1HRH3
SCHEMBL3540761 0.85 HRH3 (0.54) HPGDF10HRH3SLC6A4MEN1

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-7648979-B2 5-amido-(1H-indol-2-yl)-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-19 US disclosed
CN-101610998-A 5-amido-(1H-indoles-2-yl)-piperazine-1-base-ketone derivatives as histamine H 3 receptor ligands HOFFMANN LA ROCHE (CH) 2009-12-23 CN disclosed
EP-2118059-A1 5 -AMIDO- (IH- INDOL- 2 -YL) PIPERAZIN-1-YL-METHANONE DERIVATIVES AS HISTAMINE H3 RECEPTOR LIGANDS F. Hoffmann-Roche AG (CH) 2009-11-18 EP disclosed
WO-2008095823-A1 5 -AMIDO- (IH- INDOL- 2 -YL) PIPERAZIN-1-YL-METHANONE DERIVATIVES AS HISTAMINE H3 RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 WO disclosed
US-20080188487-A1 5-AMIDO-(1H-INDOL-2-YL)-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-08-07 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 (1 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-20080188487-A1 5-AMIDO-(1H-INDOL-2-YL)-PIPERAZIN-1-YL-METHANONE DERIVATIVES HRH4, HRH3, HRH2 HPGD 659/4885CHRNA7 129/4885F10 3131/4885

“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.