SCHEMBL456786

SCHEMBL456786

CC(C)(C)OC(=O)N1CC(F)(F)CC1c1cc(F)cc(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
GRM5 P41594 1/20 0.36
RIPK1 Q13546 2/20 0.35
HCRTR1 O43613 1/20 0.34
GPR119 Q8TDV5 6/20 0.34
TACR1 P25103 3/20 0.34
EPAS1 Q99814 2/20 0.34
MGLL Q99685 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33

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
SCHEMBL12477897 1.00 AR (0.36) ARGRM5RIPK1HCRTR1GPR119
SCHEMBL29759291 0.83 TACR1 (0.35) RIPK1TACR1NR1H2NR1H3
SCHEMBL24526756 0.83 TACR1 (0.35) RIPK1TACR1NR1H2NR1H3
SCHEMBL17067861 0.81 RIPK1 (0.46) RIPK1GPR119
SCHEMBL469821 0.81 RIPK1 (0.46) RIPK1GPR119
SCHEMBL24527025 0.81 UCHL1 (0.38) RIPK1HCRTR1TACR1NR1H2NR1H3
SCHEMBL455372 0.81 AR (0.39) ARGRM5RIPK1GPR119EPAS1
SCHEMBL12477574 0.81 AR (0.39) ARGRM5RIPK1GPR119EPAS1
SCHEMBL451781 0.80 RIPK1 (0.50) RIPK1GPR119TACR1NR1H2NR1H3
SCHEMBL21723215 0.80 RIPK1 (0.50) RIPK1GPR119TACR1NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678338-B1 PYRAZOLO[1,5-A]PYRIDINES AS TRK INHIBITORS NOVARTIS AG (CH) 2015-09-09 EP disclosed
US-9102671-B2 Compounds and compositions as TRK inhibitors NOVARTIS AG (CH) 2015-08-11 US disclosed
EP-2678338-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2014-01-01 EP disclosed
US-20130331397-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2013-12-12 US disclosed
WO-2012116217-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-08-30 WO disclosed
WO-2012116217-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-08-30 WO disclosed
WO-2012034095-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO 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-20130331397-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS CNKSR1, BMP2K, RAF1 AR 495/4885GRM5 2287/4885RIPK1 239/4885

“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.