SCHEMBL31023960

SCHEMBL31023960

O=C(O)N1CCC2(CC1)CCN(C(c1ccc3c(c1)COCO3)c1ccc3c(c1)COCO3)CC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 14/20 0.44
CYP2D6 P10635 12/20 0.44
CYP2C9 P11712 8/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 11/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 5/20 0.41
CYP2C19 P33261 3/20 0.41
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SMAD3 P84022 1/20 0.36
P4HB P07237 1/20 0.35

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
SCHEMBL31023723 0.90 SMAD3 (0.42) ALDH1A1MEN1KMT2ASMAD3P4HB
SCHEMBL31023896 0.85 GPR183 (0.45) CYP3A4CYP2D6CYP2C9ALDH1A1USP2
SCHEMBL31023777 0.83 USP2 (0.51) CYP3A4CYP2D6CYP2C9ALDH1A1USP2
SCHEMBL31023682 0.81 USP2 (0.37) CYP3A4CYP2D6CYP2C9ALDH1A1USP2
SCHEMBL31023812 0.80 GPR183 (0.51) CYP3A4CYP2D6CYP2C9ALDH1A1USP2
SCHEMBL31023769 0.78 SMAD3 (0.41) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL31023753 0.78 SMAD3 (0.41) ALDH1A1TP53TSHRMEN1KMT2A
SCHEMBL31023800 0.77 CYP2D6 (0.42) CYP3A4CYP2D6CYP2C9ALDH1A1USP2
SCHEMBL31023940 0.77 HPGD (0.52) CYP3A4CYP2D6CYP2C9ALDH1A1CYP1A2
SCHEMBL31023772 0.74 P4HB (0.47) CYP2D6MEN1KMT2ASMAD3P4HB

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 CYP3A4 2196/4885CYP2D6 727/4885CYP2C9 793/4885
US-20240294514-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF MGLL, PNLIP, LPL CYP3A4 2196/4885CYP2D6 727/4885CYP2C9 793/4885

“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.