SCHEMBL3540840

SCHEMBL3540840

CN(C)[C@@H]1CCN(C(=O)c2ccc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.54
HRH4 Q9H3N8 3/20 0.47
TLR9 Q9NR96 3/20 0.47
TLR8 Q9NR97 3/20 0.47
TLR7 Q9NYK1 3/20 0.47
GPR183 P32249 4/20 0.47
PDK2 Q15119 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
AKR1C3 P42330 2/20 0.45
SYK P43405 1/20 0.45
DDR1 Q08345 1/20 0.45
KMT2A Q03164 1/20 0.45
BTK Q06187 1/20 0.44
KDM1A O60341 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
SCHEMBL3536682 1.00 HRH3 (0.54) HRH3HRH4TLR9TLR8TLR7
SCHEMBL3536687 1.00 HRH3 (0.54) HRH3HRH4TLR9TLR8TLR7
SCHEMBL3539278 0.95 HRH3 (0.56) HRH3HRH4TLR9TLR8TLR7
SCHEMBL3540113 0.85 L3MBTL3 (0.50) HRH3HRH4TLR9TLR8TLR7
Hydrochloric Acid SCHEMBL3540617 0.84 L3MBTL3 (0.49) HRH3HRH4TLR9TLR8TLR7
SCHEMBL3544235 0.81 L3MBTL3 (0.59) HRH3HRH4GPR183L3MBTL3KMT2A
SCHEMBL3540795 0.81 POLB (0.51) HRH3HRH4AKR1C3KMT2A
SCHEMBL3538625 0.80 L3MBTL3 (0.58) HRH3HRH4GPR183L3MBTL3SYK
SCHEMBL3536218 0.80 L3MBTL3 (0.59) HRH4TLR9TLR8TLR7L3MBTL3
SCHEMBL3536792 0.80 HRH3 (0.67) HRH3HRH4GPR183KMT2A

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 2/4885HRH4 1/4885TLR9 757/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885HRH4 1/4885TLR9 757/4885

“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.