SCHEMBL3542599

SCHEMBL3542599

CC(C)n1c(C(=O)N2CCOCC2)cc2cc(C(=O)N3CCCC(N(C)C)C3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
HRH3 Q9Y5N1 5/20 0.47
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
CYP2D6 P10635 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PROKR1 Q8TCW9 2/20 0.41
L3MBTL3 Q96JM7 1/20 0.39
EGFR P00533 2/20 0.39
LCK P06239 2/20 0.39
JAK3 P52333 2/20 0.39
VNN1 O95497 1/20 0.39
B3GNT2 Q9NY97 1/20 0.38
HPGD P15428 2/20 0.38

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 0.88 HRH3 (0.40) KMT2AHRH3CYP2D6PROKR1L3MBTL3
SCHEMBL3539000 0.88 HRH3 (0.54) KMT2AHRH3CYP2D6PROKR1L3MBTL3
SCHEMBL3540158 0.88 HRH3 (0.40) KMT2AHRH3CYP2D6PROKR1L3MBTL3
SCHEMBL3540193 0.88 PROKR1 (0.45) HRH3PROKR1L3MBTL3
SCHEMBL3534607 0.83 ALDH1A1 (0.41) KMT2AHRH3NPC1RAB9APROKR1
SCHEMBL3538806 0.83 HRH3 (0.56) KMT2AHRH3CYP2D6L3MBTL3
SCHEMBL3541052 0.81 HRH3 (0.64) KMT2AHRH3CYP2D6HSP90AA1HSP90AB1
SCHEMBL3539403 0.81 CHRNA7 (0.56) KMT2AHRH3CYP2D6HSP90AA1HSP90AB1
SCHEMBL3544898 0.77 KMT2A (0.50) KMT2AHRH3CYP2D6HSP90AA1HSP90AB1
SCHEMBL3540795 0.77 POLB (0.51) KMT2AHRH3NPC1LMNAHTT

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 KMT2A 512/4885HRH3 2/4885NPC1 2088/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 KMT2A 512/4885HRH3 2/4885NPC1 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.