SCHEMBL31023937

SCHEMBL31023937

c1cc2c(cc1C(c1ccc3c(c1)COCO3)N1CCCNCC1)COCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 4/20 0.44
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
OPRD1 P41143 6/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
SMAD3 P84022 2/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ADAM17 P78536 1/20 0.36
MCL1 Q07820 1/20 0.36
ACHE P22303 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL31023772 0.95 P4HB (0.47) P4HBCYP2D6CYP19A1MEN1KMT2A
SCHEMBL31023777 0.83 USP2 (0.51) P4HBCYP2D6CYP19A1MEN1KMT2A
SCHEMBL31023828 0.81 CHRNB2 (0.38) P4HBCYP2D6CYP19A1MEN1KMT2A
SCHEMBL31023829 0.81 CHRNB2 (0.38) P4HBCYP2D6CYP19A1MEN1KMT2A
SCHEMBL31023749 0.80 P4HB (0.39) P4HBCYP2D6CYP19A1MEN1KMT2A
SCHEMBL31023682 0.79 USP2 (0.37) P4HBCYP2D6MEN1KMT2ASMAD3
SCHEMBL31023902 0.79 USP2 (0.50) P4HBCYP2D6SMAD3ALDH1A1
SCHEMBL17276381 0.77 CYP2D6 (0.51) P4HBCYP2D6CYP19A1MEN1KMT2A
SCHEMBL31023713 0.76 CYP2D6 (0.47) P4HBCYP2D6CYP19A1MEN1KMT2A
SCHEMBL31023723 0.75 SMAD3 (0.42) P4HBMEN1KMT2AOPRD1SMAD3

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 P4HB 3538/4885CYP2D6 727/4885CYP19A1 1123/4885
US-20240294514-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF MGLL, PNLIP, LPL P4HB 3538/4885CYP2D6 727/4885CYP19A1 1123/4885

“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.