SCHEMBL4418561

SCHEMBL4418561

O=C(CN1c2nc(-c3ccncn3)cc(=O)n2CCC12CCN(C(=O)C1CCC1)C2)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.42
CYP2D6 P10635 6/20 0.36
CYP1A2 P05177 3/20 0.35
HRH3 Q9Y5N1 1/20 0.35
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL4425247 0.98 GSK3B (0.42) GSK3BCYP2D6CYP1A2
SCHEMBL4420589 0.97 GSK3B (0.43) GSK3BCYP2D6CYP1A2
SCHEMBL4424995 0.90 GSK3B (0.39) GSK3BCYP2D6CYP1A2HRH3
SCHEMBL5560279 0.90 GSK3B (0.44) GSK3BCYP2D6CYP1A2
SCHEMBL5560272 0.90 GSK3B (0.44) GSK3BCYP2D6CYP1A2
SCHEMBL4427896 0.89 GSK3B (0.41) GSK3BCYP2D6CYP1A2
SCHEMBL4427899 0.89 GSK3B (0.41) GSK3BCYP2D6CYP1A2
SCHEMBL4424997 0.88 ACACB (0.39) GSK3BHRH3
SCHEMBL4422560 0.87 GSK3B (0.40) GSK3BCYP2D6CYP1A2
SCHEMBL5554290 0.86 GSK3B (0.46) GSK3BCYP2D6CYP1A2

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.