SCHEMBL21384669

SCHEMBL21384669

COC(=O)C(C)(C)c1ccc(C2CNC2)cc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.39

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 20)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 3/20 0.34
USP2 O75604 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34

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
SCHEMBL21381683 0.84 HSD11B1 (0.44) USP5CYP2D6ALDH1A1TP53LMNA
SCHEMBL23211940 0.83 ALDH1A1 (0.39) USP5CYP2D6KCNH2ALDH1A1TP53
SCHEMBL21382591 0.81 ALDH1A1 (0.48) KCNH2ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL21381824 0.79 CYP2D6 (0.39) USP5CYP2D6NPSR1ALDH1A1TP53
SCHEMBL21381723 0.78 LMNA (0.50) USP5CYP2D6KCNH2ALDH1A1TP53
SCHEMBL25324748 0.77 MEN1 (0.46) CNR1CNR2CYP2D6TP53KMT2A
SCHEMBL23091730 0.76 LMNA (0.50) USP5CYP2D6ALDH1A1TP53MAPT
SCHEMBL23212072 0.76 CYP2D6 (0.37) USP5CYP2D6NPSR1ALDH1A1MAPT
SCHEMBL25323656 0.75 EPHX1 (0.36) USP5CYP2D6NPSR1ALDH1A1TP53
SCHEMBL21381635 0.74 HTR2A (0.44) CYP2D6ALDH1A1KMT2AUSP2MEN1

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 USP5 316/4885CNR1 2173/4885CNR2 2773/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC USP5 316/4885CNR1 2173/4885CNR2 2773/4885

“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.