SCHEMBL2767159

SCHEMBL2767159

O=C(c1cc2cc(OC[C@@H]3CCCNC3)ccc2n1CC(F)(F)F)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.61
MAP2K1 Q02750 1/20 0.42
GRK2 P25098 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3R2 O00459 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PIK3R5 Q8WYR1 1/20 0.37
PIK3R3 Q92569 1/20 0.37
CHEK2 O96017 1/20 0.37
ACP1 P24666 1/20 0.37
LRRK2 Q5S007 1/20 0.37
SCN9A Q15858 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
SCHEMBL4792908 1.00 HRH3 (0.61) HRH3MAP2K1GRK2CYP4F2CYP4A11
SCHEMBL2767161 1.00 HRH3 (0.61) HRH3MAP2K1GRK2CYP4F2CYP4A11
Trifluoroacetic Acid SCHEMBL2767748 0.97 HRH3 (0.58) HRH3MAP2K1GRK2CYP4F2CYP4A11
SCHEMBL2767960 0.87 HRH3 (0.60) HRH3
SCHEMBL2768376 0.83 HRH3 (0.69) HRH3LRRK2
SCHEMBL2768880 0.83 HRH3 (0.69) HRH3LRRK2
SCHEMBL2769047 0.83 HRH3 (0.63) HRH3PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL2768527 0.83 HRH3 (0.63) HRH3PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL2767936 0.82 HRH3 (0.57) HRH3PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL2767922 0.82 HRH3 (0.57) HRH3PIK3CDPIK3R2PIK3CAPIK3CB

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 2/4885MAP2K1 4472/4885GRK2 75/4885

“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.