SCHEMBL21381709

SCHEMBL21381709

CC1(C)COc2cc(C3CN(C(=O)O)C3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 4/20 0.39
▸ RARG P13631 4/20 0.39
▸ RARA P10276 3/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ PTGS1 P23219 2/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ RXRA P19793 1/20 0.34
▸ S1PR5 Q9H228 2/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ PDE4B Q07343 3/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ MGLL Q99685 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32

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
SCHEMBL23211841 0.83 PDE4B (0.44) PDE4BHDAC1HDAC2
SCHEMBL23149105 0.77 RARA (0.49) RARBRARGRARARXRA
SCHEMBL30699992 0.75 HSD11B1 (0.39) PDE4BPDE4APDE4CPDE4DMGLL
SCHEMBL1021435 0.71 RARB (0.56) RARBRARGRARACNR2PTGS1
SCHEMBL21381827 0.71 VDR (0.33) PTGS1PTGS2
SCHEMBL23212009 0.69 TP53 (0.46) MGLL
SCHEMBL23149217 0.69 KDM1A (0.42) RXRA
SCHEMBL1018488 0.67 RARB (0.45) RARBRARGRARACNR2PTGS1
SCHEMBL21381825 0.67 TRPM8 (0.34) RARBRARGRARARXRA
SCHEMBL281668 0.67 TMEM97 (0.44) RARBRARGRARACNR2PTGS1

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 RARB 4457/4885RARG 4531/4885RARA 4518/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC RARB 4457/4885RARG 4531/4885RARA 4518/4885

“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.

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