SCHEMBL21384844

SCHEMBL21384844

CC(C)(C)OC(=O)N1CCC(C(c2ccc(F)cc2)c2nc(C(F)(F)F)no2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.47
GPR119 Q8TDV5 10/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC4 P56524 3/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A3 Q01959 1/20 0.42
DPP4 P27487 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL23211817 0.87 MMP13 (0.47) MMP13GPR119MEN1KMT2ANPC1
SCHEMBL21381594 0.87 MMP13 (0.47) MMP13GPR119MEN1KMT2ANPC1
SCHEMBL23211877 0.86 SLC6A3 (0.43) MAPK1SLC6A3DPP4
SCHEMBL4393991 0.75 MMP13 (0.55) MMP13GPR119MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL23211866 0.74 SLC6A2 (0.36) SLC6A3
SCHEMBL5934111 0.74 MMP13 (0.60) MMP13GPR119MEN1KMT2ANPC1
SCHEMBL25326881 0.73 MMP13 (0.53) MMP13GPR119MEN1KMT2ANPC1
SCHEMBL7417677 0.73 MMP13 (0.53) MMP13GPR119MEN1KMT2ANPC1
SCHEMBL20074864 0.73 HDAC4 (0.47) GPR119HDAC4MAPTHDAC6
SCHEMBL21384762 0.73 MMP13 (0.49) MMP13GPR119MEN1KMT2ANPC1

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
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
CN-111936503-A Oxazin monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2020-11-13 CN 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 MMP13 663/4885GPR119 432/4885MEN1 1218/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC MMP13 663/4885GPR119 432/4885MEN1 1218/4885

“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.