SCHEMBL3535650

SCHEMBL3535650

CN(C)C1CCCN(C(=O)c2ccc3[nH]c(C(=O)O)cc3c2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
HRH4 Q9H3N8 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BTK Q06187 1/20 0.43
TLR9 Q9NR96 2/20 0.43
TLR8 Q9NR97 2/20 0.43
TLR7 Q9NYK1 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
PIN1 Q13526 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
AKR1C3 P42330 1/20 0.42
JAK1 P23458 2/20 0.42
JAK2 O60674 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL3540113 0.94 L3MBTL3 (0.50) HRH4BTKTLR9TLR8TLR7
Hydrochloric Acid SCHEMBL3540617 0.93 L3MBTL3 (0.49) HRH4BTKTLR9TLR8TLR7
SCHEMBL3540795 0.87 POLB (0.51) MAPTHRH4NPC1RAB9AMEN1
SCHEMBL3536218 0.87 L3MBTL3 (0.59) HRH4NPC1RAB9AMEN1KMT2A
SCHEMBL3536062 0.86 HRH3 (0.54) MAPTNPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL3542235 0.86 L3MBTL3 (0.58) HRH4NPC1RAB9AMEN1KMT2A
SCHEMBL3543008 0.80 HRH3 (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL3536687 0.79 HRH3 (0.54) HRH4KMT2ABTKTLR9TLR8
SCHEMBL3540840 0.79 HRH3 (0.54) HRH4KMT2ABTKTLR9TLR8
SCHEMBL3536682 0.79 HRH3 (0.54) HRH4KMT2ABTKTLR9TLR8

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 MAPT 2280/4885HRH4 1/4885NPC1 2088/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 MAPT 2280/4885HRH4 1/4885NPC1 2088/4885

“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.