SCHEMBL29569347

SCHEMBL29569347

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](OCc3ccc(C(F)(F)F)cc3F)[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 6/20 0.40
▸ GPR119 Q8TDV5 2/20 0.40
▸ HCRTR1 O43613 8/20 0.39
▸ HCRTR2 O43614 8/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ AR P10275 2/20 0.37

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
SCHEMBL23149381 0.87 HCRTR1 (0.43) HCRTR1HCRTR2IDO1
SCHEMBL21722995 0.84 TACR1 (0.42) TACR1GPR119IDO1
SCHEMBL19409666 0.79 IDO1 (0.43) TACR1GPR119IDO1
SCHEMBL29962387 0.78 IDO1 (0.42) TACR1GPR119IDO1
SCHEMBL30700841 0.77 CHRM2 (0.43) GPR119IDO1
SCHEMBL17510405 0.76 HCRTR1 (0.62) GPR119HCRTR1HCRTR2
SCHEMBL17510403 0.76 HCRTR1 (0.62) GPR119HCRTR1HCRTR2
SCHEMBL17510393 0.74 HCRTR1 (0.60) GPR119HCRTR1HCRTR2
SCHEMBL17510391 0.74 HCRTR1 (0.60) GPR119HCRTR1HCRTR2
SCHEMBL29962537 0.74 GPR119 (0.37) TACR1GPR119IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4028401-B1 4,4A,5,7,8,8A-HEXAPYRIDO[4,3-B][1,4]OXAZIN-3-ONE COMPOUNDS AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2023-11-22 — — EP disclosed
US-20220275005-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-09-01 — — US disclosed
EP-4028401-A1 4,4A,5,7,8,8A-HEXAPYRIDO[4,3-B][1,4]OXAZIN-3-ONE COMPOUNDS AS MAGL INHIBITORS F. Hoffmann-La Roche AG (CH) 2022-07-20 — — EP disclosed
CN-114364682-A Compound 4,4A,5,7,8, 8A-hexapyrido [4,3-B ] [1,4] oxazin-3-one as MAGL inhibitor 豪夫迈·罗氏有限公司 2022-04-15 — — CN 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-20220275005-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP4B1, CYP4X1 TACR1 2095/4885GPR119 2884/4885HCRTR1 310/4885

“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.

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