SCHEMBL21381890

SCHEMBL21381890

Cc1ccc(S(=O)(=O)O)cc1.Clc1cc(C2CNC2)ccc1Br

nearest known ligand 0.40

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
▸ CHRNB2 known ✓ P17787 2/20 0.34
▸ CHRNA4 known ✓ P43681 2/20 0.34
▸ ABL1 known ✓ P00519 1/20 0.34
▸ CYP2D6 P10635 7/20 0.40
▸ SLC6A2 P23975 6/20 0.40
▸ SLC6A3 Q01959 6/20 0.40
▸ SLC6A4 P31645 5/20 0.40
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KCNH2 Q12809 5/20 0.35

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
SCHEMBL30567954 1.00 CYP2D6 (0.40) CYP2D6SLC6A2SLC6A3SLC6A4CYP1A2
SCHEMBL23211889 0.81 PRKAB2 (0.40) CYP2D6SLC6A2SLC6A3SLC6A4CYP1A2
SCHEMBL30568015 0.81 PRKAB2 (0.40) CYP2D6SLC6A2SLC6A3SLC6A4CYP1A2
SCHEMBL21381799 0.81 CYP2D6 (0.39) CYP2D6SLC6A2SLC6A3SLC6A4ALDH1A1
SCHEMBL21381757 0.80 ALDH1A1 (0.44) CYP2D6CYP1A2ALDH1A1MAPTKDM4E
SCHEMBL23211909 0.80 S100A9 (0.39) CYP2D6SLC6A2SLC6A3SLC6A4CYP1A2
SCHEMBL21381723 0.78 LMNA (0.50) CYP2D6ALDH1A1MAPTKDM4ELMNA
SCHEMBL21384634 0.78 EPAS1 (0.36) CYP2D6CYP1A2ALDH1A1KDM4ECYP2C9
SCHEMBL23091730 0.77 LMNA (0.50) CYP2D6ALDH1A1MAPTKDM4ELMNA
SCHEMBL21384638 0.77 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ELMNAHTT

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 CHRNB2 4043/4885CHRNA4 4167/4885ABL1 1084/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC CHRNB2 4043/4885CHRNA4 4167/4885ABL1 1084/4885

“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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