SCHEMBL31023917

SCHEMBL31023917

COc1ccc(C(c2cccnc2)N2CCN(C(=O)n3nnc4ccc(C#N)cc43)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 9/20 0.53
▸ FAAH O00519 3/20 0.50
▸ CYP3A4 P08684 2/20 0.44
▸ CYP3A5 P20815 2/20 0.44
▸ CACNA2D1 P54289 2/20 0.41
▸ CACNA1B Q00975 2/20 0.41
▸ CACNB1 Q02641 2/20 0.41
▸ CACNA1C Q13936 2/20 0.41
▸ CACNA1G O43497 1/20 0.41
▸ PLA2G7 Q13093 1/20 0.40
▸ ABHD6 Q9BV23 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL31023864 0.94 MGLL (0.53) MGLLFAAHCYP3A4CYP3A5CACNA2D1
SCHEMBL31023732 0.92 MGLL (0.56) MGLLFAAHCYP3A4CYP3A5PLA2G7
SCHEMBL31023750 0.92 MGLL (0.53) MGLLFAAHCACNA2D1CACNA1BCACNB1
SCHEMBL31023795 0.86 MGLL (0.53) MGLLFAAHCACNA2D1CACNA1BCACNB1
SCHEMBL31023935 0.85 MGLL (0.56) MGLLFAAHCYP3A4CYP3A5PLA2G7
SCHEMBL31023792 0.85 MGLL (0.53) MGLLFAAHCACNA2D1CACNA1BCACNB1
SCHEMBL31023684 0.84 MGLL (0.60) MGLLFAAH
SCHEMBL31023733 0.83 MGLL (0.45) MGLLFAAHCACNA2D1CACNA1BCACNB1
SCHEMBL31023789 0.83 MGLL (0.48) MGLLFAAH
SCHEMBL31023850 0.81 MGLL (0.49) MGLLFAAHALDH1A1GAAALOX15

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 1/4885FAAH 12/4885CYP3A4 2196/4885
US-20240294514-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF MGLL, PNLIP, LPL MGLL 1/4885FAAH 12/4885CYP3A4 2196/4885

“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.

Send feedback