SCHEMBL21382019

SCHEMBL21382019

Cc1ccc(S(=O)(=O)O)cc1.FC(F)(F)Oc1cccc(C2CNC2)c1

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.41
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
PTGER1 P34995 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
MGLL Q99685 3/20 0.38
STAT3 P40763 1/20 0.38
SLC5A1 P13866 1/20 0.37
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37

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
SCHEMBL21381760 0.83 BCHE (0.41) HCRTR2DRD2DRD3BCHEACHE
SCHEMBL30567964 0.83 BCHE (0.41) HCRTR2DRD2DRD3BCHEACHE
SCHEMBL30568009 0.83 BCHE (0.41) HCRTR2DRD2DRD3BCHEACHE
SCHEMBL21381801 0.83 BCHE (0.41) HCRTR2DRD2DRD3BCHEACHE
SCHEMBL21381657 0.82 SSTR4 (0.37) BCHEACHEEPHX1EPHX2STAT3
SCHEMBL30568023 0.82 SSTR4 (0.37) BCHEACHEEPHX1EPHX2STAT3
SCHEMBL20757498 0.82 HTR2C (0.44) MGLL
SCHEMBL21381955 0.81 EPHX2 (0.36) EPHX1EPHX2
SCHEMBL21381811 0.81 HTR2A (0.38) BCHEACHEMEN1KMT2AEPHX1
SCHEMBL30568027 0.81 HTR2A (0.38) BCHEACHEMEN1KMT2AEPHX1

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 11 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
EP-4034538-A1 NEW HETEROCYCLIC MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. Hoffmann-La Roche AG (CH) 2022-08-03 EP disclosed
CN-114401968-A Novel heterocyclic monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2022-04-26 CN disclosed
US-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-04-15 US disclosed
WO-2021058445-A1 NEW HETEROCYCLIC MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2021-04-01 WO disclosed
US-20210094973-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-01 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 (3 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 HCRTR2 2492/4885DRD2 3496/4885DRD1 2379/4885
US-20210094973-A1 HETEROCYCLIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP1A1, CYP1B1 HCRTR2 1356/4885DRD2 1430/4885DRD1 687/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC HCRTR2 2492/4885DRD2 3496/4885DRD1 2379/4885

“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.