SCHEMBL22462777

SCHEMBL22462777

Cc1ccc(C#CC2CN(C(=O)O)C2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.37
▸ CPS1 P31327 2/20 0.36
▸ HCRTR1 O43613 4/20 0.34
▸ HCRTR2 O43614 4/20 0.34
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ PDK2 Q15119 4/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GLA P06280 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
SCHEMBL21722797 0.83 AR (0.35) HCRTR1HCRTR2
SCHEMBL22462862 0.83 GPR119 (0.41) PDK2KMT2A
SCHEMBL21722800 0.70 RBP4 (0.40) MEN1KMT2A
SCHEMBL12027328 0.70 CSNK2A1 (0.46) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL21722898 0.69 PTGDR2 (0.41) —
SCHEMBL22462783 0.69 AR (0.40) MEN1KMT2A
SCHEMBL25252026 0.69 HDAC8 (0.31) —
SCHEMBL20079214 0.68 BACE1 (0.38) HCRTR1HCRTR2GLA
SCHEMBL27655228 0.68 LMNA (0.42) MEN1KMT2A
SCHEMBL22462808 0.68 NFE2L2 (0.39) CPS1HCRTR1HCRTR2GLA

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
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
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 KDM1A 1062/4885CPS1 1811/4885HCRTR1 2007/4885
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL KDM1A 877/4885CPS1 1348/4885HCRTR1 1790/4885
US-20200308190-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, MGLL, LPL KDM1A 1021/4885CPS1 1325/4885HCRTR1 1927/4885
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL KDM1A 877/4885CPS1 1348/4885HCRTR1 1790/4885
US-20220202963-A1 RADIOLABELED COMPOUNDS MGLL, PNLIP, LPL KDM1A 2277/4885CPS1 2034/4885HCRTR1 2895/4885
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL KDM1A 877/4885CPS1 1348/4885HCRTR1 1790/4885

“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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