SCHEMBL31023944

SCHEMBL31023944

CC(C)(C)OC(=O)N1CCN(C(c2ccc3c(c2)COCO3)c2ccc3c(c2)COCO3)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.44
CYP3A4 P08684 2/20 0.42
CYP3A5 P20815 2/20 0.42
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR183 P32249 1/20 0.38
MMP13 P45452 1/20 0.38
SMAD3 P84022 1/20 0.37
MGLL Q99685 4/20 0.37
ABHD6 Q9BV23 2/20 0.37
PLA2G7 Q13093 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL31023863 0.96 SCD5 (0.41) SCD5CYP3A4CYP3A5NPC1ALDH1A1
SCHEMBL31023896 0.91 GPR183 (0.45) SCD5CYP3A4CYP3A5ALDH1A1USP2
SCHEMBL31023692 0.89 CYP3A4 (0.40) SCD5CYP3A4CYP3A5NPC1ALDH1A1
SCHEMBL31023812 0.88 GPR183 (0.51) SCD5CYP3A4ALDH1A1USP2SMN1; SMN2
SCHEMBL31023904 0.88 GPR183 (0.49) SCD5CYP3A4ALDH1A1USP2SMN1; SMN2
SCHEMBL31023908 0.87 GPR119 (0.46) SCD5CYP3A4CYP3A5MAPTMGLL
SCHEMBL17276747 0.85 CYP3A4 (0.45) CYP3A4CYP3A5NPC1ALDH1A1MAPT
SCHEMBL15266373 0.85 SCD5 (0.55) SCD5CYP3A4CYP3A5NPC1ALDH1A1
SCHEMBL31023833 0.85 GPR183 (0.48) SCD5CYP3A4ALDH1A1USP2SMN1; SMN2
SCHEMBL31023634 0.85 HDAC3 (0.44) SCD5CYP3A4CYP3A5NPC1ALDH1A1

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 SCD5 562/4885CYP3A4 2196/4885CYP3A5 2286/4885
US-20240294514-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF MGLL, PNLIP, LPL SCD5 562/4885CYP3A4 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.