SCHEMBL445865

SCHEMBL445865

CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1c1cc(F)cc(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.40
DPP4 P27487 4/20 0.39
PREP P48147 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
NTRK1 P04629 3/20 0.38
GPR119 Q8TDV5 4/20 0.36
RIPK1 Q13546 1/20 0.35
EPAS1 Q99814 1/20 0.35
FAP Q12884 1/20 0.34

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
SCHEMBL430865 1.00 AR (0.40) ARDPP4PREPDPP8DPP9
SCHEMBL12688003 1.00 AR (0.40) ARDPP4PREPDPP8DPP9
SCHEMBL445864 1.00 AR (0.40) ARDPP4PREPDPP8DPP9
SCHEMBL12478221 0.89 AR (0.40) ARGPR119RIPK1EPAS1
SCHEMBL433026 0.89 AR (0.40) ARGPR119RIPK1EPAS1
SCHEMBL431625 0.89 AR (0.40) ARGPR119RIPK1EPAS1
SCHEMBL457104 0.89 AR (0.40) ARGPR119RIPK1EPAS1
SCHEMBL445752 0.89 AR (0.40) ARGPR119RIPK1EPAS1
SCHEMBL446078 0.83 AR (0.36) ARGPR119RIPK1EPAS1
SCHEMBL446079 0.83 AR (0.36) ARGPR119RIPK1EPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 US disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 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-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS TNK2, CNKSR1, BMP2K AR 747/4885DPP4 1728/4885PREP 4415/4885

“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.