SCHEMBL21381902

SCHEMBL21381902

O=C(O)N1CC(c2ccc(OC(F)(F)F)cc2Cl)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 10/20 0.43
DRD3 P35462 1/20 0.43
NOTUM Q6P988 1/20 0.43
EPHX2 P34913 3/20 0.41
MGLL Q99685 2/20 0.41
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
FFAR1 O14842 1/20 0.39
CYP2C9 P11712 1/20 0.39
SCN5A Q14524 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL23211736 0.85 NOTUM (0.43) FFAR4NOTUMEPHX2FFAR1PTGS1
SCHEMBL21381771 0.84 LIPE (0.48) FFAR4DRD3SCN5A
SCHEMBL23148995 0.78 NOTUM (0.50) DRD3NOTUMMGLL
SCHEMBL30177218 0.75 NOTUM (0.49) FFAR4NOTUMEPHX2MGLLFFAR1
SCHEMBL23752824 0.75 NOTUM (0.49) FFAR4NOTUMEPHX2MGLLFFAR1
SCHEMBL23752826 0.75 NOTUM (0.49) FFAR4NOTUMEPHX2MGLLFFAR1
SCHEMBL23752827 0.75 NOTUM (0.49) FFAR4NOTUMEPHX2MGLLFFAR1
SCHEMBL26087939 0.75 SMN1; SMN2 (0.42)
SCHEMBL23211917 0.74 KMO (0.42) EPHX2MGLLMRGPRX4
SCHEMBL23211936 0.72 NOTUM (0.52) DRD3NOTUMMGLL

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 5 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
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 FFAR4 1129/4885DRD3 1525/4885NOTUM 70/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC FFAR4 1129/4885DRD3 1525/4885NOTUM 70/4885

“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.