SCHEMBL29863376

SCHEMBL29863376

CC(C)(C)OC(=O)Nc1ccc(C#N)c(F)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.45
EGLN2 Q96KS0 3/20 0.44
AR P10275 2/20 0.40
TTK P33981 1/20 0.39
MAPKAPK2 P49137 2/20 0.39
AAK1 Q2M2I8 6/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
RIPK3 Q9Y572 1/20 0.36
GPR65 Q8IYL9 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 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
SCHEMBL24726507 1.00 TRPA1 (0.45) TRPA1EGLN2ARTTKMAPKAPK2
SCHEMBL30929464 0.85 EGLN2 (0.41) TRPA1EGLN2ARTTKMAPKAPK2
SCHEMBL7001261 0.85 EGLN2 (0.41) TRPA1EGLN2ARTTKMAPKAPK2
SCHEMBL7310686 0.83 MAPKAPK2 (0.40) TRPA1EGLN2ARTTKMAPKAPK2
SCHEMBL24968843 0.80 GSK3B (0.39) GSK3BDYRK1A
SCHEMBL7106252 0.80 TRPA1 (0.39) TRPA1EGLN2ARTTKMAPKAPK2
SCHEMBL24427233 0.79 ATR (0.39) GSK3BDYRK1A
SCHEMBL21566100 0.79 GSK3B (0.40) GSK3BDYRK1A
SCHEMBL30075068 0.79 GSK3B (0.40) GSK3BDYRK1A
SCHEMBL19457874 0.78 ADORA3 (0.39) GPR65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138003-A1 DIHYDROINDOLIZINONE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2023-05-04 US disclosed
US-11566027-B2 Dihydroindolizinone derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2023-01-31 US disclosed
EP-3702357-B1 DIHYDROINDOLIZINONE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2022-08-24 EP 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 (2 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-20230138003-A1 DIHYDROINDOLIZINONE DERIVATIVE TFPI, F2, TFPI2 TRPA1 3231/4885EGLN2 158/4885AR 4065/4885
US-11566027-B2 Dihydroindolizinone derivative CYP2C19, CYP4A22, CYP4A11 TRPA1 3003/4885EGLN2 271/4885AR 3746/4885

“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.