SCHEMBL21381996

SCHEMBL21381996

O=C(ON1CCC(c2cccc(OC(F)(F)F)c2)C1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
MGLL Q99685 4/20 0.45
DRD2 P14416 2/20 0.42
DRD1 P21728 2/20 0.42
DRD4 P21917 2/20 0.42
DRD5 P21918 2/20 0.42
DRD3 P35462 2/20 0.42
HCRTR2 O43614 3/20 0.41
HSD11B1 P28845 1/20 0.41
BCL9 O00512 2/20 0.40
CTNNB1 P35222 2/20 0.40
FAAH O00519 1/20 0.40
MAPK7 Q13164 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL21381950 0.85 MEN1 (0.45) MGLLDRD2DRD1DRD4DRD5
SCHEMBL23211936 0.81 NOTUM (0.52) NOTUMMGLLDRD2DRD1DRD4
SCHEMBL21381632 0.81 NOTUM (0.52) NOTUMMGLLDRD2DRD1DRD4
SCHEMBL30567993 0.78 PDE4B (0.53) MGLLBCL9CTNNB1
SCHEMBL30567996 0.78 PDE4B (0.53) MGLLBCL9CTNNB1
SCHEMBL21384745 0.78 PDE4B (0.53) MGLLBCL9CTNNB1
SCHEMBL23212068 0.78 PDE4B (0.53) MGLLBCL9CTNNB1
SCHEMBL942295 0.77 EPHX2 (0.47) MGLLHSD11B1FAAHMAPK7MEN1
SCHEMBL25864470 0.75 GPR119 (0.52) MGLLHCRTR2HSD11B1BCL9CTNNB1
SCHEMBL22638731 0.75 HTR2C (0.42) NOTUM

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
CN-111936503-B Oxazine monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2023-09-12 CN disclosed
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
US-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-04-15 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 (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-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC NOTUM 70/4885MGLL 1/4885DRD2 3496/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC NOTUM 70/4885MGLL 1/4885DRD2 3496/4885

“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.