SCHEMBL3608659

SCHEMBL3608659

CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCS(=O)(=O)CC2)n3C(C)c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.44
CHRNA7 P36544 2/20 0.41
CNR2 P34972 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAOB P27338 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
SLC6A4 P31645 1/20 0.38
CHRM1 P11229 1/20 0.38
LMNA P02545 1/20 0.36

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
SCHEMBL3543762 0.89 HRH3 (0.48) HRH3CHRNA7CNR2TSHRHPGD
SCHEMBL3537497 0.87 HRH3 (0.54) HRH3CHRNA7ADORA2AADORA1TSHR
SCHEMBL3539327 0.87 HRH3 (0.54) HRH3CHRNA7ADORA2AADORA1TSHR
SCHEMBL3537410 0.87 HRH3 (0.54) HRH3CHRNA7ADORA2AADORA1TSHR
SCHEMBL3538951 0.85 CHRNA7 (0.50) HRH3CHRNA7CYP2D6SLC6A4LMNA
SCHEMBL3540266 0.82 HRH3 (0.51) HRH3CNR2TSHRLMNA
SCHEMBL27739848 0.81 HRH3 (0.48) HRH3CHRNA7TSHRHPGDCYP2D6
SCHEMBL27787697 0.80 HRH3 (0.51) HRH3CHRNA7ADORA2AADORA1CYP2D6
SCHEMBL3538264 0.78 HPGD (0.44) HRH3CHRNA7CNR2HPGDPDCD1
SCHEMBL3540269 0.78 F10 (0.48) HRH3CHRNA7TSHRHPGDSLC6A4

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-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 HRH3 2/4885CHRNA7 143/4885CNR2 3/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885CHRNA7 143/4885CNR2 3/4885

“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.