SCHEMBL3539281

SCHEMBL3539281

O=C(c1ccc2c(c1)cc(C(=O)N1CCC(F)(F)CC1)n2-c1ccnc(Cl)c1)N1CCN(C2CCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.50
HPGD P15428 2/20 0.42
MGLL Q99685 1/20 0.40
KCNH2 Q12809 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
L3MBTL3 Q96JM7 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADRA1A P35348 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
SCHEMBL3537803 0.94 L3MBTL3 (0.48) HRH3HPGDL3MBTL1L3MBTL3ADRA1A
SCHEMBL3540716 0.94 L3MBTL3 (0.47) HRH3HPGDL3MBTL1L3MBTL3KDM4E
SCHEMBL3537218 0.88 HRH3 (0.50) HRH3HPGDKCNH2L3MBTL1L3MBTL3
SCHEMBL4045434 0.88 HRH3 (0.42) HRH3HPGDMGLLKCNH2L3MBTL1
SCHEMBL3545283 0.87 HRH3 (0.49) HRH3MGLLKCNH2L3MBTL1L3MBTL3
SCHEMBL28779772 0.87 HRH3 (0.49) HRH3MGLLKCNH2L3MBTL1L3MBTL3
SCHEMBL3535868 0.87 HPGD (0.52) HRH3HPGDKCNH2L3MBTL1L3MBTL3
SCHEMBL3536426 0.87 HRH3 (0.54) HRH3HPGDKCNH2L3MBTL1L3MBTL3
SCHEMBL3537168 0.86 HRH3 (0.55) HRH3HPGD
SCHEMBL3542678 0.85 L3MBTL1 (0.54) HRH3HPGDKCNH2L3MBTL1L3MBTL3

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 2/4885HPGD 810/4885MGLL 3528/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885HPGD 810/4885MGLL 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.