SCHEMBL3169405

SCHEMBL3169405

CC(C)N1CCCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCN(S(C)(=O)=O)CC2)n3C(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.49
HRH3 Q9Y5N1 11/20 0.45
CYP2D6 P10635 1/20 0.45
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
SLC6A4 P31645 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL3160158 0.87 HRH3 (0.47) CHRNA7HRH3CYP2D6CNR2
SCHEMBL3160554 0.86 KMT2A (0.48) HRH3CYP2D6CNR2ALDH1A1GAA
SCHEMBL3177575 0.86 CHRNA7 (0.51) CHRNA7HRH3CYP2D6SLC6A4
SCHEMBL3539403 0.86 CHRNA7 (0.56) CHRNA7HRH3CYP2D6
SCHEMBL3538951 0.85 CHRNA7 (0.50) CHRNA7HRH3CYP2D6ALDH1A1SLC6A4
SCHEMBL3541236 0.85 HRH3 (0.62) CHRNA7HRH3CYP2D6SLC6A4
SCHEMBL3169749 0.85 HRH3 (0.50) CHRNA7HRH3CYP2D6CNR2
SCHEMBL3160495 0.85 CHRNA7 (0.54) CHRNA7HRH3CYP2D6ALDH1A1
SCHEMBL3160162 0.83 TSHR (0.50) CHRNA7HRH3CYP2D6CNR2ALDH1A1
SCHEMBL3160773 0.83 CHRNA7 (0.48) CHRNA7HRH3CYP2D6ALDH1A1GAA

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-7648979-B2 5-amido-(1H-indol-2-yl)-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-19 US claimed
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 claimed
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 claimed
US-20080188487-A1 5-AMIDO-(1H-INDOL-2-YL)-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-08-07 US claimed
US-7648979-B2 5-amido-(1H-indol-2-yl)-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-19 US 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 CHRNA7 129/4885HRH3 2/4885CYP2D6 462/4885

“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.