SCHEMBL3539504

SCHEMBL3539504

CC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)N4CCCC(F)C4)cc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.56
HRH4 Q9H3N8 4/20 0.50
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SYK P43405 1/20 0.46
FGFR1 P11362 1/20 0.45
FGFR2 P21802 1/20 0.45
FGFR3 P22607 1/20 0.45

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
SCHEMBL3537499 0.88 HRH3 (0.64) HRH3HRH4NPC1RAB9ASYK
SCHEMBL3538745 0.87 HRH3 (0.66) HRH3HRH4NPC1RAB9ASYK
SCHEMBL3539676 0.87 HRH3 (0.66) HRH3HRH4NPC1RAB9ASYK
SCHEMBL3537523 0.85 HRH4 (0.48) HRH3HRH4MAPTMEN1KMT2A
SCHEMBL3537063 0.84 HRH3 (0.62) HRH3HRH4
SCHEMBL3535196 0.84 HRH3 (0.60) HRH3HRH4NPC1RAB9A
SCHEMBL3159808 0.84 HRH3 (0.62) HRH3HRH4NPC1RAB9ASYK
SCHEMBL3540981 0.83 HRH3 (0.56) HRH3HRH4
SCHEMBL3177119 0.83 HRH3 (0.56) HRH3HRH4SYK
SCHEMBL4384728 0.82 HRH4 (0.59) HRH3HRH4MEN1KMT2ANPC1

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 7 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
CN-101421235-A 5-amido-2-amide indoles HOFFMANN LA ROCHE (CH) 2009-04-29 CN 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 1/4885MAPT 2280/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885HRH4 1/4885MAPT 2280/4885

“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.