SCHEMBL3539595

SCHEMBL3539595

O=C(c1ccc2c(c1)cc(C(=O)N1CCC(F)(F)CC1)n2-c1ccc(Cl)cc1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.51
L3MBTL1 Q9Y468 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SLC6A4 P31645 2/20 0.44
L3MBTL3 Q96JM7 2/20 0.43
HPGD P15428 1/20 0.43
KCNH2 Q12809 1/20 0.42
HTT P42858 1/20 0.42
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41

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
SCHEMBL3536426 0.98 HRH3 (0.54) HRH3L3MBTL1KDM4EALDH1A1SLC6A4
SCHEMBL3541563 0.92 HRH3 (0.52) HRH3L3MBTL1KDM4EALDH1A1L3MBTL3
SCHEMBL3542678 0.91 L3MBTL1 (0.54) HRH3L3MBTL1KDM4EALDH1A1L3MBTL3
SCHEMBL3538363 0.91 HRH3 (0.51) HRH3L3MBTL1KDM4EALDH1A1L3MBTL3
SCHEMBL3536585 0.89 HRH3 (0.54) HRH3L3MBTL1KDM4ESLC6A4L3MBTL3
SCHEMBL3535868 0.89 HPGD (0.52) HRH3L3MBTL1KDM4EALDH1A1L3MBTL3
SCHEMBL3541448 0.89 HRH3 (0.49) HRH3L3MBTL1KDM4EALDH1A1SLC6A4
SCHEMBL3543369 0.89 HRH3 (0.49) HRH3L3MBTL1SLC6A4L3MBTL3KCNH2
SCHEMBL3540466 0.89 HRH3 (0.51) HRH3L3MBTL1KDM4EALDH1A1L3MBTL3
SCHEMBL3543978 0.88 HRH3 (0.56) HRH3L3MBTL1SLC6A4L3MBTL3HPGD

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 2/4885L3MBTL1 3202/4885KDM4E 1682/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885L3MBTL1 3202/4885KDM4E 1682/4885

“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.