SCHEMBL31023932

SCHEMBL31023932

COC(=O)C1CCN(C(c2ccc3c(c2)COCO3)c2ccc3c(c2)COCO3)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MGLL Q99685 1/20 0.39
SMAD3 P84022 5/20 0.38
P4HB P07237 5/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 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
SCHEMBL31023906 0.87 MGLL (0.36) NPC1RAB9AALDH1A1POLBMGLL
SCHEMBL31023753 0.86 SMAD3 (0.41) ALDH1A1SMAD3P4HBHPGDTSHR
SCHEMBL31023769 0.86 SMAD3 (0.41) ALDH1A1SMAD3P4HBHPGDTSHR
SCHEMBL31023687 0.85 MGLL (0.42) NPC1RAB9AMGLLSMAD3P4HB
SCHEMBL31023723 0.77 SMAD3 (0.42) ALDH1A1KDM4EMGLLSMAD3P4HB
SCHEMBL31023944 0.75 SCD5 (0.44) NPC1RAB9AALDH1A1MGLLSMAD3
SCHEMBL31023889 0.75 MGLL (0.46) MGLLSMAD3P4HB
SCHEMBL31023796 0.75 CNR1 (0.38) MGLLSMAD3P4HBHTTNPSR1
SCHEMBL31023940 0.74 HPGD (0.52) NPC1RAB9AALDH1A1KDM4ESMAD3
SCHEMBL31023772 0.74 P4HB (0.47) SMAD3P4HB

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 NPC1 602/4885RAB9A 665/4885ALDH1A1 530/4885
US-20240294514-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF MGLL, PNLIP, LPL NPC1 602/4885RAB9A 665/4885ALDH1A1 530/4885

“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.