SCHEMBL4552623

SCHEMBL4552623

CCOC(=O)N1CCC2(CCn3c(nc(-c4ccncn4)cc3=O)N2CC(=O)c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.43
CYP2D6 P10635 5/20 0.37
CYP1A2 P05177 2/20 0.36
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34

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
SCHEMBL5554252 1.00 GSK3B (0.43) GSK3BCYP2D6CYP1A2OPRD1OPRK1
SCHEMBL4418104 0.95 GSK3B (0.44) GSK3BCYP2D6CYP1A2OPRD1OPRK1
SCHEMBL5560279 0.90 GSK3B (0.44) GSK3BCYP2D6CYP1A2
SCHEMBL5560272 0.90 GSK3B (0.44) GSK3BCYP2D6CYP1A2
SCHEMBL4423186 0.90 GSK3B (0.41) GSK3BCYP1A2OPRD1OPRK1
SCHEMBL5554750 0.89 GSK3B (0.40) GSK3BCYP2D6CYP1A2
SCHEMBL5560982 0.88 GSK3B (0.42) GSK3BCYP2D6CYP1A2OPRD1OPRK1
SCHEMBL4431960 0.88 GSK3B (0.42) GSK3BCYP2D6CYP1A2OPRD1OPRK1
SCHEMBL5559918 0.88 GSK3B (0.42) GSK3BCYP2D6CYP1A2OPRD1OPRK1
SCHEMBL5560979 0.88 GSK3B (0.42) GSK3BCYP2D6CYP1A2OPRD1OPRK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294631-B2 Substituted 8′-pyri(MI)dinyl-dihydrospiro-[cycloalkylamine]-pyrimido[1,2-a]pyrimidin-6-one derivatives SANOFI-AVENTIS (FR) 2007-11-13 US claimed
EP-1699795-B1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKLYMINE]-PYRIMIDO[1,2A]PYRIMIDIN-6-ONE DERIVATIVES SANOFI AVENTIS (FR) 2007-04-25 EP claimed
US-20070010539-A1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKYLAMINE]-PYRIMIDO[1,2-a]PYRIMIDIN-6-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2007-01-11 US claimed
US-7547705-B2 Substituted 8′-pyri(MI)dinyl-dihydrospiro-[cycloalkylamine]-pyrimido[1,2-a]pyrimidin-6-one derivatives SANOFI-AVENTIS (FR) 2009-06-16 US disclosed
US-7294631-B2 Substituted 8′-pyri(MI)dinyl-dihydrospiro-[cycloalkylamine]-pyrimido[1,2-a]pyrimidin-6-one derivatives SANOFI-AVENTIS (FR) 2007-11-13 US disclosed
EP-1699795-B1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKLYMINE]-PYRIMIDO[1,2A]PYRIMIDIN-6-ONE DERIVATIVES SANOFI AVENTIS (FR) 2007-04-25 EP disclosed
US-20070010539-A1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKYLAMINE]-PYRIMIDO[1,2-a]PYRIMIDIN-6-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2007-01-11 US 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 (1 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-20070010539-A1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKYLAMINE]-PYRIMIDO[1,2-a]PYRIMIDIN-6-ONE DERIVATIVES GSK3B, GSK3A, PSEN1 GSK3B 1/4885CYP2D6 2197/4885CYP1A2 2136/4885

“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.