SCHEMBL31023902

SCHEMBL31023902

c1cc2c(cc1C(c1ccc3c(c1)COCO3)N1CC3(CCNCC3)C1)COCO2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 5/20 0.50
CYP2D6 P10635 4/20 0.50
CYP3A4 P08684 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 3/20 0.50
TP53 P04637 2/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.37
P4HB P07237 3/20 0.33
TSHR P16473 1/20 0.32
SMAD3 P84022 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL31023777 0.89 USP2 (0.51) USP2CYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL31023729 0.88 USP2 (0.47) USP2CYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL31023800 0.83 CYP2D6 (0.42) USP2CYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL31023772 0.83 P4HB (0.47) CYP2D6P4HBSMAD3
SCHEMBL31023682 0.81 USP2 (0.37) USP2CYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL31023937 0.79 P4HB (0.44) CYP2D6P4HBSMAD3ALDH1A1
SCHEMBL31023904 0.75 GPR183 (0.49) USP2CYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL31023960 0.72 CYP3A4 (0.44) USP2CYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL31023645 0.70 SLC6A2 (0.38)
SCHEMBL31023728 0.68 HDAC3 (0.36) USP2CYP2D6CYP3A4CYP1A2CYP2C9

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 USP2 1903/4885CYP2D6 727/4885CYP3A4 2196/4885
US-20240294514-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF MGLL, PNLIP, LPL USP2 1903/4885CYP2D6 727/4885CYP3A4 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.