SCHEMBL21381933

SCHEMBL21381933

O=C(O)N1CC(c2ccc(C(F)(F)F)c(F)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.49
KIF11 P52732 2/20 0.40
EPHX2 P34913 6/20 0.39
USP30 Q70CQ3 1/20 0.39
NOTUM Q6P988 1/20 0.39
TRPM8 Q7Z2W7 2/20 0.39
CHRM2 P08172 1/20 0.38
DRD2 P14416 1/20 0.38
CHRNB2 P17787 1/20 0.38
DRD4 P21917 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
DRD3 P35462 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
KCNH2 Q12809 1/20 0.37
RBP4 P02753 2/20 0.37
SCD5 Q86SK9 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL30149834 0.83 RORC (0.46) KDM1AEPHX2USP30
SCHEMBL21384730 0.83 RORC (0.46) KDM1AEPHX2USP30
SCHEMBL23212022 0.80 EPHX2 (0.46) EPHX2USP30CHRM2
SCHEMBL23211938 0.80 EPHX2 (0.38) EPHX2KCNH2RBP4SCD5
SCHEMBL15173662 0.80 HDAC1 (0.44) USP30CHRM2
SCHEMBL25249861 0.80 KDM1A (0.45) KDM1AKIF11USP30KCNH2
SCHEMBL25255882 0.78 USP30 (0.35) KDM1AUSP30MAPK1
SCHEMBL25326686 0.78 USP30 (0.41) USP30FASN
SCHEMBL12473618 0.77 KDM1A (0.57) KDM1AKIF11CHRM2DRD2CHRNB2
SCHEMBL13838866 0.77 KDM1A (0.61) KDM1AKIF11CHRM2DRD2CHRNB2

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 4 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
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 KDM1A 1480/4885KIF11 1388/4885EPHX2 402/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC KDM1A 1480/4885KIF11 1388/4885EPHX2 402/4885

“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.