SCHEMBL3540283

SCHEMBL3540283

O=C(c1ccc2c(c1)cc(C(=O)N1CCS(=O)(=O)CC1)n2-c1ccc(F)cc1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.52
MGLL Q99685 4/20 0.48
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL3 Q96JM7 2/20 0.44
FAAH O00519 1/20 0.43
NAMPT P43490 1/20 0.42

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
SCHEMBL27760293 0.93 HRH3 (0.52) HRH3MGLLHTTL3MBTL1KDM4E
SCHEMBL3537737 0.91 HRH3 (0.50) HRH3HTTL3MBTL1KDM4EALDH1A1
SCHEMBL3541015 0.91 HRH3 (0.50) HRH3L3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL3543723 0.90 HRH3 (0.54) HRH3MGLLHTTL3MBTL1KDM4E
SCHEMBL3534612 0.90 HTT (0.54) HRH3MGLLHTTL3MBTL1KDM4E
SCHEMBL3538813 0.88 HRH3 (0.52) HRH3MGLLHTTL3MBTL1KDM4E
SCHEMBL3541563 0.87 HRH3 (0.52) HRH3MGLLHTTL3MBTL1KDM4E
SCHEMBL3535722 0.86 HRH3 (0.51) HRH3L3MBTL1L3MBTL3
SCHEMBL3539331 0.85 L3MBTL1 (0.55) HRH3HTTL3MBTL1KDM4EMEN1
SCHEMBL3539675 0.85 HRH3 (0.48) HRH3HTTL3MBTL1KDM4EMEN1

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 2/4885MGLL 3528/4885HTT 802/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885MGLL 3528/4885HTT 802/4885

“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.