SCHEMBL13966331

SCHEMBL13966331

CC(C)(C)OC(=O)N1C[C@@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)[C@@H]2C1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 18/20 0.83
USP30 Q70CQ3 1/20 0.51
GPR119 Q8TDV5 1/20 0.47

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
SCHEMBL13977586 1.00 LIPE (0.83) LIPEUSP30GPR119
SCHEMBL13835394 1.00 LIPE (0.83) LIPEUSP30GPR119
SCHEMBL13836240 0.91 LIPE (1.00) LIPE
SCHEMBL15152604 0.91 LIPE (1.00) LIPE
SCHEMBL13835635 0.91 LIPE (1.00) LIPE
SCHEMBL13835152 0.85 LIPE (0.74) LIPE
SCHEMBL13835412 0.85 LIPE (0.74) LIPE
SCHEMBL15152608 0.85 LIPE (0.74) LIPE
SCHEMBL24227416 0.82 LIPE (0.65) LIPEGPR119
SCHEMBL31288403 0.82 LIPE (0.65) LIPEGPR119

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-2709984-B1 NEW HEXAHYDROCYCLOPENTAPYRROLONE, HEXAHYDROPYRROLOPYRROLONE, OCTAHYDROPYRROLOPYRIDINONE AND OCTAHYDROPYRIDINONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-03-18 EP disclosed
US-8501768-B2 Hexahydrocyclopentapyrrolone, hexahydropyrrolopyrrolone, octahydropyrrolopyridinone and octahydropyridinone compounds HOFFMANN-LA ROCHE INC. (US) 2013-08-06 US disclosed
US-8501768-B2 Hexahydrocyclopentapyrrolone, hexahydropyrrolopyrrolone, octahydropyrrolopyridinone and octahydropyridinone compounds HOFFMANN-LA ROCHE INC. (US) 2013-08-06 US disclosed
US-20120295934-A1 New Hexahydrocyclopentapyrrolone, Hexahydropyrrolopyrrolone, Octahydropyrrolopyridinone and Octahydropyridinone Compounds F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 US disclosed
US-20120295934-A1 New Hexahydrocyclopentapyrrolone, Hexahydropyrrolopyrrolone, Octahydropyrrolopyridinone and Octahydropyridinone Compounds F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 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-20120295934-A1 New Hexahydrocyclopentapyrrolone, Hexahydropyrrolopyrrolone, Octahydropyrrolopyridinone and Octahydropyridinone Compounds LIPE, LIPC, PNLIP LIPE 1/4885USP30 1682/4885GPR119 15/4885

“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.