SCHEMBL21382020

SCHEMBL21382020

Cc1ccc(S(=O)(=O)ON2CC(c3cccc(OC(F)(F)F)c3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.47
DRD1 P21728 3/20 0.47
DRD4 P21917 3/20 0.47
DRD5 P21918 3/20 0.47
DRD3 P35462 3/20 0.47
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
LIPE Q05469 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HCRTR2 O43614 3/20 0.38
VDR P11473 1/20 0.37
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
PTGES2 Q9H7Z7 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
SCHEMBL21381762 0.83 BCHE (0.41) MEN1KMT2ABCHEACHELIPE
SCHEMBL21381804 0.83 LIPE (0.41) MEN1KMT2ABCHEACHELIPE
SCHEMBL21381655 0.82 VDR (0.34) DRD2DRD1DRD4DRD5DRD3
SCHEMBL21381814 0.81 HSD11B1 (0.35) DRD2DRD1DRD4DRD5DRD3
SCHEMBL21381956 0.81 HCRTR1 (0.35) DRD2DRD1DRD4DRD5DRD3
SCHEMBL21381752 0.81 VDR (0.35) DRD2DRD1DRD4DRD5DRD3
SCHEMBL23211910 0.81 S100A9 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL21384636 0.81 EPAS1 (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL21381758 0.80 ALDH1A1 (0.44) DRD2DRD1DRD4DRD5DRD3
SCHEMBL23211872 0.76 KIF11 (0.40) DRD2DRD1DRD4DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
EP-3768684-B1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN LA ROCHE (CH) 2023-02-22 EP disclosed
EP-4034538-A1 NEW HETEROCYCLIC MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. Hoffmann-La Roche AG (CH) 2022-08-03 EP disclosed
US-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-04-15 US disclosed
WO-2021058445-A1 NEW HETEROCYCLIC MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2021-04-01 WO disclosed
US-20210094973-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US disclosed
EP-3768684-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-01-27 EP disclosed
WO-2019180185-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-09-26 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 (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-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC DRD2 3496/4885DRD1 2379/4885DRD4 3633/4885
US-20210094973-A1 HETEROCYCLIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP1A1, CYP1B1 DRD2 1430/4885DRD1 687/4885DRD4 572/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC DRD2 3496/4885DRD1 2379/4885DRD4 3633/4885

“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.