SCHEMBL4420852

SCHEMBL4420852

CCOC(=O)N1CCC(=CC#N)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.55
CYP1A2 P05177 5/20 0.55
CYP3A4 P08684 4/20 0.55
CACNA1C Q13936 1/20 0.55
SCN5A Q14524 1/20 0.55
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
PABPC1 P11940 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL4420849 1.00 GRM5 (0.55) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL4419406 0.91 GRM5 (0.58) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL23343604 0.87 GRM5 (0.51) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL2558056 0.81 ESR2 (0.46) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL30803371 0.81 ESR2 (0.46) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL14954612 0.81 ESR2 (0.46) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL3697057 0.78 LMNA (0.51) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL20994916 0.77 USP30 (0.33) GRM5CYP1A2CYP3A4CACNA1CSCN5A
SCHEMBL16099259 0.74 GRM5 (0.50) GRM5CYP1A2CYP3A4MAPTSMN1; SMN2
SCHEMBL14808636 0.74 GRM5 (0.43) GRM5CYP1A2CYP3A4KDM4EGAA

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-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-20080081820-A1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKYLAMINE]-PYRIMIDO[1,2-a]PYRIMIDIN-6-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-04-03 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
EP-1557417-B1 Substituted 8'-pyri(mi)dinyl-dihydrospiro-[cycloalkylamine]-pyrimido[1,2-a] pyrimidin-6-one derivatives SANOFI AVENTIS (FR) 2007-03-07 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
EP-1699795-A1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKLYMINE]-PYRIMIDO[1,2A]PYRIMIDIN-6-ONE DERIVATIVES Sanofi-Aventis (FR) 2006-09-13 EP disclosed
EP-1557417-A1 Substituted 8'-pyri(mi)dinyl-dihydrospiro-[cycloalkylamine]-pyrimido[1,2a] pyrimidin-6-one derivatives Sanofi-Aventis (FR) 2005-07-27 EP disclosed
WO-2005058908-A1 SUBSTITUTED 8’-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKYLAMINE]-PYRIMIDO[1,2-a]PYRIMIDIN-6-ONE DERIVATIVES SANOFI-AVENTIS (FR) 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 (2 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 GRM5 525/4885CYP1A2 2136/4885CYP3A4 4202/4885
US-20080081820-A1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKYLAMINE]-PYRIMIDO[1,2-a]PYRIMIDIN-6-ONE DERIVATIVES GSK3B, GSK3A, PSEN1 GRM5 768/4885CYP1A2 1683/4885CYP3A4 3766/4885

“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.