SCHEMBL3535762

SCHEMBL3535762

CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCS(=O)(=O)CC2)n3-c2cccc(S(C)(=O)=O)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.41
CHRNA7 P36544 2/20 0.38
F10 P00742 2/20 0.36
CNR2 P34972 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
CASP6 P55212 1/20 0.35
CASP8 Q14790 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL27760498 0.93 HRH3 (0.39) HRH3CHRNA7F10ADORA2AADORA1
SCHEMBL3539332 0.91 HRH3 (0.42) HRH3CHRNA7CNR2LMNA
SCHEMBL3540269 0.88 F10 (0.48) HRH3CHRNA7F10TSHRSMN1; SMN2
SCHEMBL3538264 0.88 HPGD (0.44) HRH3CHRNA7F10CNR2SMN1; SMN2
SCHEMBL3538586 0.87 HRH3 (0.44) HRH3CHRNA7F10CNR2LMNA
SCHEMBL3542086 0.87 HRH3 (0.47) HRH3HTTL3MBTL1
SCHEMBL3541390 0.85 HRH3 (0.46) HRH3LMNATSHRSMN1; SMN2POLB
SCHEMBL3539012 0.85 HRH3 (0.49) HRH3CHRNA7F10CNR2ADORA2A
SCHEMBL27760300 0.83 HRH3 (0.40) HRH3CHRNA7ADORA2AADORA1LMNA
SCHEMBL3543435 0.82 CHRNA7 (0.50) HRH3CHRNA7F10LMNATSHR

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 143/4885F10 2489/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885CHRNA7 143/4885F10 2489/4885

“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.