SCHEMBL3540113

SCHEMBL3540113

CN(C)C1CCN(C(=O)c2ccc3[nH]c(C(=O)O)cc3c2)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.50
TLR9 Q9NR96 3/20 0.49
TLR8 Q9NR97 3/20 0.49
TLR7 Q9NYK1 3/20 0.49
BTK Q06187 1/20 0.48
JAK2 O60674 2/20 0.47
JAK1 P23458 2/20 0.47
TYK2 P29597 2/20 0.47
JAK3 P52333 2/20 0.47
PDK2 Q15119 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
PIN1 Q13526 1/20 0.44
KDM1A O60341 1/20 0.44
HRH3 Q9Y5N1 4/20 0.43
ATR Q13535 2/20 0.43
AKR1C3 P42330 1/20 0.43
KDR P35968 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
Hydrochloric Acid SCHEMBL3540617 0.99 L3MBTL3 (0.49) L3MBTL3TLR9TLR8TLR7BTK
SCHEMBL3535650 0.94 MAPT (0.46) L3MBTL3TLR9TLR8TLR7BTK
SCHEMBL3536218 0.93 L3MBTL3 (0.59) L3MBTL3TLR9TLR8TLR7HRH4
Hydrochloric Acid SCHEMBL3542235 0.92 L3MBTL3 (0.58) L3MBTL3TLR9TLR8TLR7HRH4
SCHEMBL3543008 0.86 HRH3 (0.56) L3MBTL3TLR9TLR8TLR7BTK
SCHEMBL3536687 0.85 HRH3 (0.54) L3MBTL3TLR9TLR8TLR7BTK
SCHEMBL3536682 0.85 HRH3 (0.54) L3MBTL3TLR9TLR8TLR7BTK
SCHEMBL3540840 0.85 HRH3 (0.54) L3MBTL3TLR9TLR8TLR7BTK
SCHEMBL28203693 0.83 BTK (0.54) TLR9TLR8TLR7BTKJAK2
SCHEMBL4324479 0.81 HRH4 (0.62) HRH4HRH3

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 L3MBTL3 3467/4885TLR9 757/4885TLR8 1051/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 L3MBTL3 3467/4885TLR9 757/4885TLR8 1051/4885

“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.