SCHEMBL21382045

SCHEMBL21382045

Cn1ncc2ccc(C3CN(C(=O)OC(C)(C)C)C3)cc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.47
PDE1C Q14123 1/20 0.47
USP30 Q70CQ3 1/20 0.44
PDE4B Q07343 4/20 0.43
HDAC4 P56524 3/20 0.41
SLC34A1 Q06495 1/20 0.40
NAMPT P43490 1/20 0.40
LRRK2 Q5S007 1/20 0.40
RORC P51449 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
FASN P49327 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL30120502 1.00 SCD5 (0.47) SCD5PDE1CUSP30PDE4BHDAC4
SCHEMBL29849392 0.91 PDE1C (0.47) SCD5PDE1CUSP30PDE4BHDAC4
SCHEMBL21385205 0.91 PDE1C (0.47) SCD5PDE1CUSP30PDE4BHDAC4
SCHEMBL21384715 0.83 SCD5 (0.54) SCD5PDE1CPDE4BHDAC4FASN
SCHEMBL30112308 0.82 JAK2 (0.43) PDE1CUSP30PDE4BLRRK2GPR119
SCHEMBL29197746 0.82 JAK2 (0.43) PDE1CUSP30PDE4BLRRK2GPR119
SCHEMBL29197744 0.82 JAK2 (0.43) PDE1CUSP30PDE4BLRRK2GPR119
SCHEMBL29196983 0.81 PDE4B (0.44) USP30PDE4BSLC34A1NAMPTRORC
SCHEMBL30732296 0.80 PDE1C (0.41) PDE1CPDE4BHDAC4GPR119FASN
SCHEMBL23211951 0.80 GPR119 (0.51) PDE1CPDE4BNAMPTGPR119KDM4E

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 7 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
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 SCD5 162/4885PDE1C 2712/4885USP30 385/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC SCD5 162/4885PDE1C 2712/4885USP30 385/4885

“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.