SCHEMBL5560979

SCHEMBL5560979

CCOC(=O)N1CCC2(CCn3c(nc(-c4ccncn4)cc3=O)N2C[C@@H](O)c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 5/20 0.39
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
CYP1A2 P05177 2/20 0.36

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
SCHEMBL5560982 1.00 GSK3B (0.42) GSK3BKDM4EALDH1A1CYP2D6OPRD1
SCHEMBL4431960 1.00 GSK3B (0.42) GSK3BKDM4EALDH1A1CYP2D6OPRD1
SCHEMBL5559918 1.00 GSK3B (0.42) GSK3BKDM4EALDH1A1CYP2D6OPRD1
SCHEMBL4431426 0.95 KDM4E (0.45) GSK3BKDM4EALDH1A1CYP2D6OPRD1
SCHEMBL4425855 0.90 GSK3B (0.43) GSK3BCYP2D6CYP1A2
SCHEMBL4425851 0.90 GSK3B (0.43) GSK3BCYP2D6CYP1A2
SCHEMBL4425837 0.90 GSK3B (0.43) GSK3BCYP2D6CYP1A2
SCHEMBL4416876 0.90 KDM4E (0.43) GSK3BKDM4EALDH1A1OPRD1OPRK1
SCHEMBL4416870 0.90 KDM4E (0.43) GSK3BKDM4EALDH1A1OPRD1OPRK1
SCHEMBL5554219 0.89 GSK3B (0.39) GSK3BKDM4EALDH1A1CYP2D6CYP1A2

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 5 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
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-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 1/4885KDM4E 2252/4885ALDH1A1 906/4885

“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.