SCHEMBL3540158

SCHEMBL3540158

CC(C)n1c(C(=O)N2CCS(=O)(=O)CC2)cc2cc(C(=O)N3CCCC(N(C)C)C3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.40
CYP2D6 P10635 1/20 0.40
PROKR1 Q8TCW9 4/20 0.40
L3MBTL3 Q96JM7 2/20 0.38
CNR2 P34972 2/20 0.38
JAK1 P23458 1/20 0.37
CDK1 P06493 2/20 0.37
CDK2 P24941 2/20 0.37
PADI4 Q9UM07 1/20 0.37
PDK2 Q15119 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL27739826 0.93 HRH3 (0.40) HRH3CYP2D6PROKR1L3MBTL3JAK1
SCHEMBL3542599 0.88 KMT2A (0.48) HRH3CYP2D6PROKR1L3MBTL3KMT2A
SCHEMBL3539000 0.88 HRH3 (0.54) HRH3CYP2D6PROKR1L3MBTL3JAK1
SCHEMBL3540193 0.87 PROKR1 (0.45) HRH3PROKR1L3MBTL3JAK1CDK1
SCHEMBL3539153 0.83 HRH3 (0.51) HRH3CYP2D6L3MBTL3L3MBTL1
SCHEMBL3534607 0.82 ALDH1A1 (0.41) HRH3PROKR1CDK1CDK2KMT2A
SCHEMBL3538806 0.82 HRH3 (0.56) HRH3CYP2D6L3MBTL3CDK1CDK2
SCHEMBL3540527 0.81 HRH3 (0.49) HRH3CYP2D6L3MBTL3L3MBTL1
SCHEMBL3538951 0.81 CHRNA7 (0.50) HRH3CYP2D6KMT2A
SCHEMBL3543762 0.81 HRH3 (0.48) HRH3CYP2D6CNR2KMT2A

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 2/4885CYP2D6 482/4885PROKR1 534/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885CYP2D6 482/4885PROKR1 534/4885

“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.