SCHEMBL3537518

SCHEMBL3537518

O=C(c1ccc2c(c1)cc(C(=O)N1CCS(=O)(=O)CC1)n2-c1cccc(OC(F)(F)F)c1)N1CCN(C2CCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.53
HSD11B1 P28845 1/20 0.43
MGLL Q99685 3/20 0.43
KCNH2 Q12809 3/20 0.42
FAAH O00519 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
SLC6A4 P31645 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL27739838 0.94 HRH3 (0.53) HRH3HSD11B1MGLLKCNH2L3MBTL3
SCHEMBL3540401 0.89 HRH3 (0.54) HRH3MGLLHTTMEN1KMT2A
SCHEMBL3538813 0.88 HRH3 (0.52) HRH3MGLLKCNH2L3MBTL3L3MBTL1
SCHEMBL3540974 0.87 HRH3 (0.52) HRH3MGLLL3MBTL1HTTMEN1
SCHEMBL3539360 0.87 L3MBTL1 (0.52) HRH3KCNH2L3MBTL3L3MBTL1MEN1
SCHEMBL3545201 0.86 HRH3 (0.50) HRH3L3MBTL3L3MBTL1HTTMEN1
SCHEMBL3534612 0.86 HTT (0.54) HRH3MGLLKCNH2L3MBTL3L3MBTL1
SCHEMBL3539331 0.85 L3MBTL1 (0.55) HRH3KCNH2L3MBTL3L3MBTL1HTT
SCHEMBL3539675 0.84 HRH3 (0.48) HRH3L3MBTL3L3MBTL1HTTMEN1
SCHEMBL3539404 0.84 HRH3 (0.49) HRH3MGLLKCNH2L3MBTL3L3MBTL1

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 2/4885HSD11B1 2209/4885MGLL 3528/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885HSD11B1 2209/4885MGLL 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.