SCHEMBL23092011

SCHEMBL23092011

Cc1csc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.51
LPL P06858 12/20 0.51
SNCA P37840 1/20 0.47
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
F11 P03951 1/20 0.39
AOC3 Q16853 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 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
SCHEMBL8198560 0.78 CYP3A4 (0.60) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL7905176 0.76 CYP3A4 (0.58) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2355337 0.76 LPL (0.51) LIPGLPL
SCHEMBL16189287 0.74 LIPG (0.61) LIPGLPLSNCAF11CA1
SCHEMBL2707320 0.74 LIPG (0.83) LIPGLPLSNCAF11CA1
SCHEMBL24608995 0.74 LIPG (0.83) LIPGLPLSNCAF11CA1
SCHEMBL23199611 0.74 LIPG (0.51) LIPGLPLSNCAF11CA1
SCHEMBL15718568 0.74 LIPG (0.51) LIPGLPLSNCAF11CA1
SCHEMBL14946710 0.74 LPL (0.56) LIPGLPLSNCACYP2A6F11
SCHEMBL24919875 0.74 SNCA (0.51) LIPGLPLSNCA

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 6 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 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
CN-114269755-A 4,4A,5,7,8, 8A-hexapyrido [4,3-B ] [1,4] oxazin-3-one compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2022-04-01 CN 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

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 LIPG 4660/4885LPL 4364/4885SNCA 1124/4885
US-20210094943-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 LIPG 4735/4885LPL 4488/4885SNCA 1563/4885

“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.