SCHEMBL3160405

SCHEMBL3160405

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.50
KMT2A Q03164 2/20 0.46
F10 P00742 1/20 0.45
CHRNA7 P36544 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
THRB P10828 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3166530 0.91 F10 (0.48) HPGDKMT2AF10CHRNA7HRH3
SCHEMBL3167059 0.90 F10 (0.47) HPGDKMT2AF10CHRNA7HRH3
SCHEMBL3170756 0.90 HPGD (0.55) HPGDKMT2AF10CHRNA7HRH3
SCHEMBL3166435 0.89 F10 (0.50) HPGDKMT2AF10CHRNA7HRH3
SCHEMBL3170258 0.89 TP53 (0.47) HPGDKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL3170622 0.88 KMT2A (0.42) HPGDKMT2ACHRNA7HRH3MEN1
SCHEMBL3160456 0.87 L3MBTL1 (0.49) KMT2AF10HRH3MEN1ALDH1A1
SCHEMBL3167064 0.87 ALDH1A1 (0.47) HPGDKMT2AF10CHRNA7HRH3
SCHEMBL3165642 0.86 F10 (0.49) HPGDKMT2AF10CHRNA7HRH3
SCHEMBL3540269 0.84 F10 (0.48) HPGDKMT2AF10CHRNA7HRH3

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 6 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
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 HPGD 659/4885KMT2A 820/4885F10 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.