SCHEMBL4245074

SCHEMBL4245074

CC(C)(C)OC(=O)N1CCC(Nc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
MAPT P10636 10/20 0.61
NPC1 O15118 1/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
RAB9A P51151 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KEAP1 Q14145 2/20 0.58
NFE2L2 Q16236 2/20 0.58
POLB P06746 2/20 0.55
SCD5 Q86SK9 1/20 0.53
TP53 P04637 3/20 0.53
LMNA P02545 1/20 0.53
EPHX2 P34913 1/20 0.51
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
MMP13 P45452 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL4245249 0.93 ALDH1A1 (0.63) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL25439897 0.84 ALDH1A1 (0.59) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL1704497 0.81 ALDH1A1 (0.68) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL31023849 0.81 EPHX2 (0.53) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL29992015 0.80 ALDH1A1 (0.69) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4247075 0.80 ALDH1A1 (0.78) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL17554400 0.79 ALDH1A1 (0.77) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL10210061 0.79 ALDH1A1 (0.79) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4115820 0.79 ALDH1A1 (0.77) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL1147817 0.79 PTPN2 (0.67) ALDH1A1MAPTNPC1RAB9AL3MBTL1

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 9 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
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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 (3 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 ALDH1A1 530/4885MAPT 88/4885NPC1 602/4885
US-20240294514-A1 SMALL MOLECULES AS MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS, COMPOSITIONS AND USE THEREOF MGLL, PNLIP, LPL ALDH1A1 530/4885MAPT 88/4885NPC1 602/4885
US-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 ALDH1A1 3358/4885MAPT 3843/4885NPC1 542/4885

“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.