SCHEMBL2767922

SCHEMBL2767922

CC(C)(C)OC(=O)N1CCC[C@@H](COc2ccc3c(c2)cc(C(=O)N2CCOCC2)n3CC(F)(F)F)C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.57
SCN9A Q15858 1/20 0.45
CHEK2 O96017 1/20 0.44
LMNA P02545 1/20 0.40
PFKFB3 Q16875 1/20 0.40
FEN1 P39748 2/20 0.39
ALOX5AP P20292 1/20 0.39
BTK Q06187 1/20 0.37
GPR119 Q8TDV5 2/20 0.37
PIK3CD O00329 1/20 0.36
PIK3R2 O00459 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PIK3R5 Q8WYR1 1/20 0.36
PIK3R3 Q92569 1/20 0.36

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
SCHEMBL2767936 1.00 HRH3 (0.57) HRH3SCN9ACHEK2LMNAPFKFB3
SCHEMBL2769661 0.88 HRH3 (0.57) HRH3LMNA
SCHEMBL2768880 0.86 HRH3 (0.69) HRH3
SCHEMBL2768376 0.86 HRH3 (0.69) HRH3
SCHEMBL4792908 0.82 HRH3 (0.61) HRH3SCN9ACHEK2PIK3CDPIK3R2
SCHEMBL2767161 0.82 HRH3 (0.61) HRH3SCN9ACHEK2PIK3CDPIK3R2
Trifluoroacetic Acid SCHEMBL2767748 0.79 HRH3 (0.58) HRH3CHEK2PIK3CDPIK3R2PIK3CA
SCHEMBL4794356 0.79 HRH3 (0.71) HRH3LMNA
SCHEMBL2767924 0.77 HRH3 (0.69) HRH3
SCHEMBL2767960 0.75 HRH3 (0.60) HRH3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960383-B1 5-SUBSTITUTED INDOLE-2-CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-04-28 EP disclosed
EP-1960383-A1 5-SUBSTITUTED INDOLE-2-CARBOXAMIDE DERIVATIVES F. Hoffmann-la Roche AG (CH) 2008-08-27 EP disclosed
US-7388095-B2 5-substituted indole-2-carboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-06-17 US disclosed
WO-2007063000-A1 5-SUBSTITUTED INDOLE-2-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123525-A1 5-Substituted indole-2-carboxamide derivatives HOFFMANN-LA ROCHE INC. 2007-05-31 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 (1 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-20070123525-A1 5-Substituted indole-2-carboxamide derivatives HRH4, HRH3, HCAR2 HRH3 2/4885SCN9A 1474/4885CHEK2 2892/4885

“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.