SCHEMBL31023698

SCHEMBL31023698

COc1ccc(C(c2cccnc2)N2CCN(C(=O)n3cnc(C#N)n3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.49
▸ CYP3A4 P08684 3/20 0.48
▸ CYP3A5 P20815 3/20 0.48
▸ CACNA2D1 P54289 2/20 0.45
▸ CACNA1B Q00975 2/20 0.45
▸ CACNB1 Q02641 2/20 0.45
▸ CACNA1C Q13936 2/20 0.45
▸ CACNA1G O43497 1/20 0.45
▸ PLA2G7 Q13093 1/20 0.43
▸ ABHD6 Q9BV23 1/20 0.43
▸ FAAH O00519 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 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
SCHEMBL31023788 0.91 CACNA2D1 (0.47) MGLLCYP3A4CACNA2D1CACNA1BCACNB1
SCHEMBL31023956 0.83 MGLL (0.45) MGLLCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL31023782 0.82 MGLL (0.39) MGLLCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL31023913 0.79 MGLL (0.46) MGLLFAAHKDM4EMEN1ALDH1A1
SCHEMBL31023874 0.75 MGLL (0.44) MGLLCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL31023917 0.75 MGLL (0.53) MGLLCYP3A4CYP3A5CACNA2D1CACNA1B
SCHEMBL31023864 0.75 MGLL (0.53) MGLLCYP3A4CYP3A5CACNA2D1CACNA1B
SCHEMBL31023875 0.75 CYP3A4 (0.62) MGLLCYP3A4CYP3A5CACNA2D1CACNA1B
SCHEMBL31023919 0.72 MGLL (0.54) MGLLPLA2G7ABHD6FAAH
SCHEMBL31023820 0.70 OPRD1 (0.52) CYP3A4CYP3A5MEN1KMT2A

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 MGLL 1/4885CYP3A4 2196/4885CYP3A5 2286/4885
US-20240294514-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF MGLL, PNLIP, LPL MGLL 1/4885CYP3A4 2196/4885CYP3A5 2286/4885

“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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