SCHEMBL5153472

SCHEMBL5153472

CCOC(=O)CN1CCN(CCO)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.40
ELANE P08246 1/20 0.39
TRPA1 O75762 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 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
SCHEMBL3966571 0.88 MGAM (0.50) GSK3AGSK3BMGAMGAASI
SCHEMBL11852921 0.88
SCHEMBL2373233 0.88 MGAM (0.50) GSK3AGSK3BMGAMGAASI
SCHEMBL8912811 0.88 MGAM (0.50) GSK3AGSK3BMGAMGAASI
SCHEMBL13296281 0.87 GSK3A (0.42) GSK3AGSK3BMGAMGAASI
SCHEMBL21068551 0.86 PAOX (0.40) GSK3AGSK3BMGAMGAASI
SCHEMBL1127888 0.85 ALDH1A1 (0.45) GSK3AGSK3BMGAMGAASI
SCHEMBL13612616 0.84 HRH2 (0.40) GSK3AGSK3BMGAMGAASI
SCHEMBL4469979 0.84 ALOX15 (0.46) GSK3AGSK3BMGAMGAASI
SCHEMBL6208831 0.84 ALDH1A1 (0.45) GSK3AGSK3BMGAMGAASI

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
US-20250334596-A1 ISOTOPIC LABELS FOR QUANTITATIVE MASS SPECTROMETRY OF LIPID ISOMERS TEXAS A & M UNIV SYS (US) 2025-10-30 US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
EP-1189612-A4 VLA-4 INHIBITOR COMPOUNDS DAIICHI SEIYAKU CO (JP) 2005-02-16 EP disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 US disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 GSK3A 220/4885GSK3B 299/4885MGAM 2192/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 GSK3A 190/4885GSK3B 257/4885MGAM 1751/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 GSK3A 263/4885GSK3B 361/4885MGAM 1841/4885

“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.