SCHEMBL2064451

SCHEMBL2064451

O=C(NC1CCCn2c1nc(-c1ccncc1)cc2=O)c1ccccc1OCC1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.38
FAAH O00519 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CGAS Q8N884 1/20 0.36
VCP P55072 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
GSK3B P49841 4/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCRTR1 O43613 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
CDC7 O00311 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35

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
SCHEMBL3376845 0.91 HCRTR2 (0.46) HCRTR2GSK3BTSHRSMN1; SMN2HCRTR1
SCHEMBL2065232 0.90 GSK3B (0.37) HCRTR2FAAHCNR1CNR2GSK3B
SCHEMBL2065326 0.88 KMT2A (0.46) HCRTR2GSK3BTSHRHCRTR1MEN1
SCHEMBL2067036 0.85 CYP2C9 (0.40) HCRTR2CGASGSK3BHCRTR1CCR3
SCHEMBL2064928 0.85 KDM5A (0.41) HCRTR2CGASGSK3BTSHRHCRTR1
SCHEMBL2065962 0.85 KMT2A (0.46) HCRTR2CGASGSK3BTSHRHCRTR1
SCHEMBL2064796 0.84 CGAS (0.39) CNR1CNR2CGASGSK3BMEN1
SCHEMBL2066118 0.83 ALDH1A1 (0.43) HCRTR2CGASGSK3BHCRTR1MEN1
SCHEMBL2066786 0.82 GSK3B (0.47) HCRTR2GSK3BHCRTR1MEN1KMT2A
SCHEMBL4383616 0.82 MEN1 (0.47) CNR1CNR2MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148364-B2 Substituted bicyclic pyrimidone derivatives SANOFI-AVENTIS (FR) 2012-04-03 US claimed
EP-1957492-B1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI AVENTIS (FR) 2010-11-10 EP claimed
US-20090036427-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-02-05 US claimed
EP-1790649-A1 Substituted bicyclic pyrimidone derivatives Sanofi-Aventis (FR) 2007-05-30 EP claimed
US-8148364-B2 Substituted bicyclic pyrimidone derivatives SANOFI-AVENTIS (FR) 2012-04-03 US disclosed
EP-1957492-B1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI AVENTIS (FR) 2010-11-10 EP disclosed
US-20090036427-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
EP-1957492-A2 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES sanofi-aventis (FR) 2008-08-20 EP disclosed
EP-1790649-A1 Substituted bicyclic pyrimidone derivatives Sanofi-Aventis (FR) 2007-05-30 EP disclosed
WO-2007057790-A2 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2007-05-24 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 (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-20090036427-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES GSK3B, GSK3A, PSEN1 HCRTR2 2658/4885FAAH 4842/4885CNR1 1810/4885

“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.