SCHEMBL19681631

SCHEMBL19681631

CC(=O)NCCN1C(=O)OCC1C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.37
MTNR1B P49286 6/20 0.36
PIK3CD O00329 1/20 0.34
MAPK1 P28482 1/20 0.33
NAAA Q02083 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
SCHEMBL4416368 0.73 GBA1 (0.41) PIK3CDNAAA
SCHEMBL13261436 0.73 GBA1 (0.41) PIK3CDNAAA
SCHEMBL13261425 0.73 GBA1 (0.41) PIK3CDNAAA
SCHEMBL19681671 0.73 PIK3CD (0.40) PIK3CDNAAA
SCHEMBL783098 0.70 SIGMAR1 (0.40) PIK3CDNAAA
SCHEMBL19681668 0.70 PIK3CD (0.38) PIK3CD
SCHEMBL19681632 0.70 PIK3CD (0.38) PIK3CD
SCHEMBL2631378 0.70
SCHEMBL15134202 0.70
SCHEMBL15013873 0.70

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-20190248785-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2019-08-15 US disclosed
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2019-02-12 US disclosed
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 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 (3 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-20190248785-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 MTNR1A 4195/4885MTNR1B 4395/4885PIK3CD 1483/4885
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 MTNR1A 4195/4885MTNR1B 4395/4885PIK3CD 1483/4885
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug PREP, UNG, DPP4 MTNR1A 4195/4885MTNR1B 4395/4885PIK3CD 1483/4885

“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.