SCHEMBL3539416

SCHEMBL3539416

N#Cc1cccc(-n2c(C(=O)N3CCC(F)(F)CC3)cc3cc(C(=O)N4CCN(C5CCCC5)CC4)ccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.47
KCNH2 Q12809 1/20 0.46
MGLL Q99685 4/20 0.45
SLC6A4 P31645 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL3 Q96JM7 2/20 0.39
POLB P06746 1/20 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
SCHEMBL3540422 0.98 HRH3 (0.49) HRH3KCNH2MGLLSLC6A4HTT
SCHEMBL3543369 0.91 HRH3 (0.49) HRH3KCNH2MGLLSLC6A4HTT
SCHEMBL3534510 0.89 HRH3 (0.51) HRH3KCNH2MGLLSLC6A4L3MBTL1
SCHEMBL3542678 0.88 L3MBTL1 (0.54) HRH3KCNH2HTTL3MBTL1KDM4E
SCHEMBL3541059 0.88 HTT (0.54) HRH3KCNH2MGLLHTTL3MBTL1
SCHEMBL3539671 0.87 HRH3 (0.49) HRH3HTTL3MBTL1KDM4EALDH1A1
SCHEMBL3538084 0.87 HRH3 (0.50) HRH3KCNH2MGLLALDH1A1HPGD
SCHEMBL3535868 0.86 HPGD (0.52) HRH3KCNH2HTTL3MBTL1KDM4E
SCHEMBL3537316 0.86 HRH3 (0.43) HRH3L3MBTL1ALDH1A1HPGDL3MBTL3
SCHEMBL3537598 0.86 HRH3 (0.52) HRH3MGLLHTTALDH1A1HPGD

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 2/4885KCNH2 684/4885MGLL 3528/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885KCNH2 684/4885MGLL 3528/4885

“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.