SCHEMBL4453710

SCHEMBL4453710

O=C(O)N1CCC(COc2ncc(-c3ccc(CN4C(=O)CNC4=O)cc3)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
GRIN2B Q13224 1/20 0.41
ACHE P22303 3/20 0.41
HTR2B P41595 1/20 0.35
GRM2 Q14416 1/20 0.35
AOC3 Q16853 4/20 0.35
MAP4K4 O95819 1/20 0.34
CYP4F2 P78329 4/20 0.34
CYP4A11 Q02928 4/20 0.34
CHEK2 O96017 1/20 0.34
ALK Q9UM73 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
SCHEMBL4457518 0.88 ACHE (0.43) GRIN2BACHEAOC3MAP4K4
SCHEMBL14191526 0.87 GPR119 (0.48) GRIN2BCHEK2
SCHEMBL4455518 0.81 GRIN2B (0.46) GRIN2BACHEAOC3MAP4K4
SCHEMBL4456659 0.78 PARP15 (0.48) GRIN2BACHEAOC3MAP4K4CHEK2
SCHEMBL4461819 0.77 CHRM4 (0.43) GRIN2BACHEAOC3MAP4K4
SCHEMBL4455478 0.76 GPR119 (0.46) GRIN2BACHEAOC3MAP4K4CYP4F2
SCHEMBL14191530 0.76 GPR119 (0.49) GRIN2BCHEK2
SCHEMBL4457000 0.74 PTGS2 (0.44) GRIN2BACHEAOC3
SCHEMBL4452034 0.74 CA2 (0.44) GRIN2BACHEAOC3MAP4K4
SCHEMBL4457549 0.74 HRH3 (0.47) HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP claimed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO claimed
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 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-20080103141-A1 New compounds GPR119, GPR3, GPR4 GSK3A 1042/4885GSK3B 891/4885GRIN2B 565/4885

“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.