SCHEMBL3539403

SCHEMBL3539403

CC(C)N1CCCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCOCC2)n3C(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.56
HRH3 Q9Y5N1 15/20 0.54
KMT2A Q03164 1/20 0.51
CYP2D6 P10635 1/20 0.46
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 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
SCHEMBL3177575 0.88 CHRNA7 (0.51) CHRNA7HRH3CYP2D6
SCHEMBL3538951 0.87 CHRNA7 (0.50) CHRNA7HRH3KMT2ACYP2D6
SCHEMBL3541236 0.87 HRH3 (0.62) CHRNA7HRH3CYP2D6
SCHEMBL3160495 0.86 CHRNA7 (0.54) CHRNA7HRH3CYP2D6
SCHEMBL3169405 0.86 CHRNA7 (0.49) CHRNA7HRH3CYP2D6
SCHEMBL3544898 0.85 KMT2A (0.50) CHRNA7HRH3KMT2ACYP2D6HSP90AA1
SCHEMBL3160773 0.85 CHRNA7 (0.48) CHRNA7HRH3KMT2ACYP2D6
SCHEMBL27787697 0.85 HRH3 (0.51) CHRNA7HRH3KMT2ACYP2D6
SCHEMBL3541052 0.84 HRH3 (0.64) HRH3KMT2ACYP2D6HSP90AA1HSP90AB1
SCHEMBL3167147 0.84 HRH3 (0.50) CHRNA7HRH3CYP2D6

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601711-B2 Such as [5-(4-cyclopentyl-piperazine-1-carbonyl)-1H-indol-2-yl]-morpholin-4-yl-methanone; histamine H3-antagonists HOFFMANN-LA ROCHE INC. (US) 2009-10-13 US claimed
EP-2010487-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. Hoffmann-Roche AG (CH) 2009-01-07 EP claimed
WO-2007115938-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 WO claimed
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 US claimed
US-7723325-B2 5-amido-indole-2-carboxamide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-05-25 US disclosed
US-20090264418-A1 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES NETTEKOVEN MATTHIAS 2009-10-22 US disclosed
US-7601711-B2 Such as [5-(4-cyclopentyl-piperazine-1-carbonyl)-1H-indol-2-yl]-morpholin-4-yl-methanone; histamine H3-antagonists HOFFMANN-LA ROCHE INC. (US) 2009-10-13 US disclosed
EP-2010487-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007115938-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 WO disclosed
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 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-20090264418-A1 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES HRH4, HRH3, CNR2 CHRNA7 143/4885HRH3 2/4885KMT2A 512/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 CHRNA7 143/4885HRH3 2/4885KMT2A 512/4885

“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.