SCHEMBL21381712

SCHEMBL21381712

COc1ccc(C(=C2CCN(C(=O)O)CC2)c2ccccn2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.55
▸ RAB9A P51151 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ FNTA P49354 1/20 0.47
▸ FNTB P49356 1/20 0.47
▸ PDE4B Q07343 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ KLK3 P07288 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ MAPT P10636 2/20 0.42

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
SCHEMBL22491587 0.87 PTAFR (0.51) PTAFRRAB9AMEN1KMT2AKDM4E
SCHEMBL29734522 0.87 PTAFR (0.51) PTAFRRAB9AMEN1KMT2AKDM4E
SCHEMBL21381837 0.82 LMNA (0.55) MEN1KMT2ASMN1; SMN2FNTAFNTB
SCHEMBL21381637 0.81 OPRD1 (0.56) PTAFRRAB9AMEN1KMT2AKDM4E
SCHEMBL30567989 0.81 OPRD1 (0.56) PTAFRRAB9AMEN1KMT2AKDM4E
SCHEMBL23211976 0.80 POLB (0.50) MEN1KMT2AKDM4EMAPK1KLK3
SCHEMBL5074203 0.74 RAB9A (0.63) RAB9AKMT2AKDM4ENPC1SMN1; SMN2
SCHEMBL12777869 0.74 PTAFR (0.68) PTAFRRAB9AMEN1KMT2AKDM4E
SCHEMBL13272027 0.74 PTAFR (0.64) PTAFRRAB9AMEN1KMT2AKDM4E
SCHEMBL22491521 0.73 FNTA (0.46) PTAFRKDM4EFNTAFNTBALDH1A1

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 8 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

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 PTAFR 4510/4885RAB9A 2231/4885MEN1 1218/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC PTAFR 4510/4885RAB9A 2231/4885MEN1 1218/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY PTAFR 4511/4885RAB9A 1129/4885MEN1 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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