SCHEMBL23212072

SCHEMBL23212072

CC(C)(C)COc1ccc(C2CNC2)cc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.37

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 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
MAPT P10636 3/20 0.35
ESRRG P62508 2/20 0.35
ESRRB O95718 1/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 3/20 0.35
USP5 P45974 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
SSTR4 P31391 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
SCHEMBL21381824 0.84 CYP2D6 (0.39) CYP2D6MAPTESRRGESRRBLMNA
SCHEMBL25323656 0.81 EPHX1 (0.36) CYP2D6MAPTESRRGLMNAALDH1A1
SCHEMBL21381683 0.80 HSD11B1 (0.44) CYP2D6LMNAALDH1A1USP5USP2
SCHEMBL23211940 0.79 ALDH1A1 (0.39) CYP2D6MAPTESRRGESRRBLMNA
SCHEMBL21381723 0.79 LMNA (0.50) CYP2D6MAPTESRRGESRRBLMNA
SCHEMBL23091730 0.77 LMNA (0.50) CYP2D6MAPTLMNAALDH1A1USP5
SCHEMBL21382591 0.77 ALDH1A1 (0.48) LMNAALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL23150492 0.76 KCNH2 (0.39) CYP2D6MAPTESRRGESRRBLMNA
SCHEMBL21384669 0.76 USP5 (0.39) CYP2D6MAPTLMNAALDH1A1USP5
SCHEMBL21381909 0.76 CNR2 (0.42) CYP2D6ESRRGESRRBALDH1A1USP5

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
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
CN-111936503-A Oxazin monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2020-11-13 CN 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 CYP2D6 1085/4885MAPT 4181/4885ESRRG 4154/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC CYP2D6 1085/4885MAPT 4181/4885ESRRG 4154/4885

“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.