SCHEMBL31023740

SCHEMBL31023740

c1cncc(N(c2ccc3c(c2)OCO3)C2CCNCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 16/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 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
SCHEMBL31023847 0.86 SLC6A4 (0.45) CYP3A4SLC6A2SLC6A4KMT2AHSD17B10
SCHEMBL3844129 0.79 CYP3A4 (0.54) CYP3A4SLC6A2SLC6A4CYP2C9CYP2C19
SCHEMBL31023963 0.79 CYP3A4 (0.43) CYP3A4SLC6A2SLC6A4KMT2AHSD17B10
SCHEMBL31023988 0.78 HTR2C (0.43) CYP3A4SLC6A2SLC6A4
SCHEMBL25598478 0.76 CYP3A4 (0.67) CYP3A4CYP2C9CYP2C19
SCHEMBL31023843 0.76 ALDH1A1 (0.40) SLC6A2SLC6A4KMT2AHSD17B10KDM4E
SCHEMBL31023876 0.75 CYP3A4 (0.53) CYP3A4MAPTTP53
SCHEMBL6307458 0.72 NPC1 (0.41) CYP3A4SLC6A4KMT2AHSD17B10KDM4E
SCHEMBL4771538 0.72 CYP3A4 (0.42) CYP3A4SLC6A2SLC6A4CYP2C9CYP2C19
SCHEMBL330571 0.72 CYP3A4 (0.42) CYP3A4SLC6A2SLC6A4CYP2C9CYP2C19

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 2196/4885SLC6A2 3242/4885SLC6A4 3471/4885
US-20240294514-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF MGLL, PNLIP, LPL CYP3A4 2196/4885SLC6A2 3242/4885SLC6A4 3471/4885

“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.