SCHEMBL21381837

SCHEMBL21381837

COc1ccc(C(=C2CCN(C(=O)O)CC2)c2ccncc2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.55
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ MAPK1 P28482 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ FNTA P49354 1/20 0.46
▸ FNTB P49356 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP2C19 P33261 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA7 P43166 1/20 0.44

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
SCHEMBL23211976 0.86 POLB (0.50) LMNAKMT2AMEN1MAPK1ALDH1A1
SCHEMBL29734416 0.85 LMNA (0.50) LMNAKMT2AMEN1MAPK1ALDH1A1
SCHEMBL22491440 0.85 LMNA (0.50) LMNAKMT2AMEN1MAPK1ALDH1A1
SCHEMBL21381712 0.82 PTAFR (0.55) KMT2AMEN1MAPK1ALDH1A1FNTA
SCHEMBL21381645 0.79 KMT2A (0.46) LMNAKMT2AMEN1ALDH1A1POLB
SCHEMBL22491521 0.76 FNTA (0.46) ALDH1A1FNTAFNTBCYP1A2
SCHEMBL21381608 0.74 FNTA (0.50) ALDH1A1FNTAFNTBGAASMN1; SMN2
SCHEMBL30149847 0.73 POLB (0.46) LMNAKMT2AMEN1MAPK1ALDH1A1
SCHEMBL23211806 0.73 POLB (0.46) LMNAKMT2AMEN1MAPK1ALDH1A1
SCHEMBL30567965 0.73 POLB (0.46) LMNAKMT2AMEN1MAPK1ALDH1A1

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 9 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
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 — — 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
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 — — US disclosed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 — — EP disclosed
WO-2019180185-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-09-26 — — WO disclosed
US-20160365521-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-15 — — US 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 (4 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 LMNA 381/4885KMT2A 2681/4885MEN1 1218/4885
US-20160365521-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME L1CAM, AOC2, DOT1L LMNA 1571/4885KMT2A 124/4885MEN1 417/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC LMNA 381/4885KMT2A 2681/4885MEN1 1218/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY LMNA 16/4885KMT2A 672/4885MEN1 80/4885

“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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