SCHEMBL22462808

SCHEMBL22462808

Cc1ccc(/C=C/C2CN(C(=O)O)C2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 2/20 0.39
▸ MIF P14174 1/20 0.36
▸ CPS1 P31327 2/20 0.36
▸ KLKB1 P03952 1/20 0.34
▸ HCRTR1 O43613 2/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ CCR1 P32246 1/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GPR183 P32249 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL23091781 1.00 NFE2L2 (0.39) NFE2L2MIFCPS1KLKB1HCRTR1
SCHEMBL21722835 0.83 USP30 (0.41) —
SCHEMBL28758348 0.83 USP30 (0.41) —
SCHEMBL22462807 0.82 CYP1A1 (0.42) MIFGRIN2BHRH4
SCHEMBL21723029 0.82 CYP1A1 (0.42) MIFGRIN2BHRH4
SCHEMBL22462801 0.74 NFE2L2 (0.45) NFE2L2
SCHEMBL23091824 0.73 NFE2L2 (0.43) NFE2L2ALDH1A1HPGDGPR183
SCHEMBL4415344 0.71 MIF (0.67) NFE2L2MIFKLKB1ALDH1A1HPGD
SCHEMBL4415340 0.71 MIF (0.67) NFE2L2MIFKLKB1ALDH1A1HPGD
SCHEMBL21722804 0.71 NOTUM (0.36) ALDH1A1HPGDRAB9AHRH4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3837263-B1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN LA ROCHE (CH) 2024-07-03 — — EP disclosed
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-05-09 — — US disclosed
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors HOFFMANN-LA ROCHE INC. (US) 2023-10-31 — — US disclosed
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-02-16 — — US disclosed
EP-4028402-A1 RADIOLABELED COMPOUNDS F. Hoffmann-La Roche AG (CH) 2022-07-20 — — EP disclosed
US-20220202963-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-06-30 — — US disclosed
CN-114650994-A Radiolabelled compounds 豪夫迈·罗氏有限公司 2022-06-21 — — CN disclosed
US-20210277020-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-09-09 — — US disclosed
WO-2021048241-A1 RADIOLABELED COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-03-18 — — WO disclosed
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-10-01 — — 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 (6 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-20210277020-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL NFE2L2 4361/4885MIF 1845/4885CPS1 1811/4885
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL NFE2L2 4082/4885MIF 2859/4885CPS1 1348/4885
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, MGLL, LPL NFE2L2 4075/4885MIF 2873/4885CPS1 1325/4885
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL NFE2L2 4082/4885MIF 2859/4885CPS1 1348/4885
US-20220202963-A1 RADIOLABELED COMPOUNDS MGLL, PNLIP, LPL NFE2L2 4233/4885MIF 1577/4885CPS1 2034/4885
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL NFE2L2 4082/4885MIF 2859/4885CPS1 1348/4885

“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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