SCHEMBL21381728

SCHEMBL21381728

CS(=O)(=O)c1cccc(C(=C2CCN(C(=O)O)CC2)c2cccnc2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 1/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ BRAF P15056 1/20 0.45
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 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
SCHEMBL21381608 0.89 FNTA (0.50) VNN1BRAFFNTAFNTBALDH1A1
SCHEMBL22491504 0.87 SETD7 (0.47) FNTAFNTBALDH1A1SMN1; SMN2LMNA
SCHEMBL30149843 0.86 GPR119 (0.49) VNN1MAPK1BRAF
SCHEMBL30568010 0.86 GPR119 (0.49) VNN1MAPK1BRAF
SCHEMBL23212048 0.86 GPR119 (0.49) VNN1MAPK1BRAF
SCHEMBL23211976 0.78 POLB (0.50) MAPK1ALDH1A1MEN1KMT2ALMNA
SCHEMBL22773331 0.76 SETD7 (0.50) FNTAFNTBLMNAOPRM1OPRD1
SCHEMBL23211871 0.75 GPR119 (0.51) FNTAFNTB
SCHEMBL30567986 0.75 GPR119 (0.51) FNTAFNTB
SCHEMBL28481891 0.74 BRAF (0.40) VNN1MAPK1BRAFALDH1A1SMN1; SMN2

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 VNN1 2194/4885MAPK1 3647/4885BRAF 2855/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC VNN1 2194/4885MAPK1 3647/4885BRAF 2855/4885

“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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