SCHEMBL23091908

SCHEMBL23091908

O=C1CO[C@H]2CCN(C(=O)N3CC(c4ccc(Oc5ccc(OC(F)(F)F)cc5)nc4)C3)C[C@H]2N1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.62

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
SCHEMBL29780686 1.00 MGLL (0.62) MGLL
SCHEMBL23119892 0.91 MGLL (0.57) MGLL
SCHEMBL23119702 0.89 MGLL (0.61) MGLL
SCHEMBL23148974 0.89 MGLL (0.76) MGLL
SCHEMBL21390459 0.89 MGLL (0.76) MGLL
SCHEMBL25057210 0.86 MGLL (0.71) MGLL
SCHEMBL23152303 0.86 MGLL (0.71) MGLL
SCHEMBL23149197 0.86 MGLL (0.71) MGLL
SCHEMBL25057206 0.84 MGLL (0.68) MGLL
SCHEMBL21390252 0.84 MGLL (0.68) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4028403-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 claimed
US-11814375-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2023-11-14 US claimed
EP-4028403-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 claimed
US-20210094943-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US claimed
WO-2021048242-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) 2021-03-18 WO claimed
EP-4028403-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
EP-4028403-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-11814375-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2023-11-14 US disclosed
US-11814375-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2023-11-14 US disclosed
US-11814375-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2023-11-14 US disclosed
EP-4028403-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
US-20210094943-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US disclosed
US-20210094943-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US disclosed
WO-2021048242-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) 2021-03-18 WO disclosed
WO-2021048242-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) 2021-03-18 WO 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-11814375-B2 Heterocyclic compounds CYP1B1, CYP1A1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MGLL 3655/4885
US-20210094943-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 MGLL 3807/4885

“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.