SCHEMBL3536090

SCHEMBL3536090

O=C(c1ccc2c(c1)cc(C(=O)N1CCC(F)(F)CC1)n2CC(F)(F)F)N1CCN(C2CCCC2)CC1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.76
L3MBTL1 Q9Y468 3/20 0.43
L3MBTL3 Q96JM7 2/20 0.43
HTT P42858 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL3537010 0.98 HRH3 (0.79) HRH3L3MBTL1L3MBTL3HTT
SCHEMBL3541810 0.93 HRH3 (0.68) HRH3L3MBTL1L3MBTL3KDM4EALDH1A1
SCHEMBL3538862 0.92 HRH3 (0.67) HRH3L3MBTL1L3MBTL3KDM4EALDH1A1
SCHEMBL5414844 0.89 HRH3 (0.84) HRH3L3MBTL1L3MBTL3HTT
SCHEMBL3544583 0.89 HRH3 (0.75) HRH3L3MBTL1L3MBTL3KDM4EALDH1A1
SCHEMBL3538056 0.88 HRH3 (0.96) HRH3L3MBTL1L3MBTL3
SCHEMBL3539042 0.88 HRH3 (0.59) HRH3L3MBTL1L3MBTL3HTTKDM4E
SCHEMBL3544224 0.87 HRH3 (0.95) HRH3L3MBTL1L3MBTL3HTT
SCHEMBL3543910 0.87 HRH3 (0.76) HRH3L3MBTL1L3MBTL3HTTKDM4E
SCHEMBL3539381 0.86 HRH3 (0.57) HRH3L3MBTL1L3MBTL3HTTKDM4E

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 8 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
US-7538223-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-05-26 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
US-20070066626-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2007-03-22 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 (3 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 3202/4885L3MBTL3 3467/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885L3MBTL1 3202/4885L3MBTL3 3467/4885
US-20070066626-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 HRH3 3208/4885L3MBTL1 2750/4885L3MBTL3 2951/4885

“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.