SCHEMBL31023788

SCHEMBL31023788

COc1ccc(C(c2ccc(OC)cc2)N2CCN(C(=O)n3cnc(C#N)n3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 3/20 0.47
▸ CACNB1 Q02641 3/20 0.47
▸ CACNA1B Q00975 2/20 0.47
▸ CACNA1C Q13936 2/20 0.47
▸ CACNA1G O43497 1/20 0.47
▸ FAAH O00519 2/20 0.43
▸ MGLL Q99685 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CACNA1A O00555 1/20 0.42
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL31023698 0.91 MGLL (0.49) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL31023956 0.88 MGLL (0.45) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL31023913 0.87 MGLL (0.46) FAAHMGLLKDM4EMAPTKMT2A
SCHEMBL31023782 0.87 MGLL (0.39) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL31023874 0.79 MGLL (0.44) CACNA2D1CACNB1CACNA1BCACNA1CFAAH
SCHEMBL31023841 0.78 FAAH (0.39) FAAHMGLLKDM4EMAPTKMT2A
SCHEMBL31023919 0.77 MGLL (0.54) FAAHMGLL
SCHEMBL31023764 0.77 MGLL (0.38) FAAHMGLLKDM4EMAPTKMT2A
SCHEMBL31023814 0.76 OGA (0.40) FAAHMGLLKDM4EMAPTKMT2A
SCHEMBL31023760 0.75 MGLL (0.36) FAAHMGLLKDM4EMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665718-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF Apogee Pharmaceuticals, Inc. (CA) 2025-12-24 — — EP disclosed
US-12378231-B2 Small molecules as monoacylglycerol lipase (MAGL) inhibitors, compositions and use thereof APOGEE PHARMACEUTICALS, INC. (CA) 2025-08-05 — — US disclosed
US-20240294514-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF APOGEE PHARMACEUTICALS, INC. (CA) 2024-09-05 — — US disclosed
WO-2024168426-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF APOGEE PHARMACEUTICALS, INC. (CA) 2024-08-22 — — 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-12378231-B2 Small molecules as monoacylglycerol lipase (MAGL) inhibitors, compositions and use thereof MGLL, PNLIP, LPL CACNA2D1 952/4885CACNB1 3230/4885CACNA1B 1591/4885
US-20240294514-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF MGLL, PNLIP, LPL CACNA2D1 952/4885CACNB1 3230/4885CACNA1B 1591/4885

“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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