SCHEMBL4457518

SCHEMBL4457518

O=C(O)N1CCC(COc2ncc(-c3ccc(CN4C(=O)CCC4=O)cc3)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.43
GRIN2B Q13224 1/20 0.41
AOC3 Q16853 4/20 0.37
PDE4B Q07343 2/20 0.35
KMT2A Q03164 1/20 0.35
MAP4K4 O95819 1/20 0.34
JAK3 P52333 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
MGLL Q99685 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
SCHEMBL4453710 0.88 GSK3A (0.42) ACHEGRIN2BAOC3MAP4K4
SCHEMBL14191530 0.86 GPR119 (0.49) GRIN2B
SCHEMBL4455518 0.85 GRIN2B (0.46) ACHEGRIN2BAOC3MAP4K4JAK3
SCHEMBL4456659 0.79 PARP15 (0.48) ACHEGRIN2BAOC3MAP4K4
SCHEMBL4461819 0.78 CHRM4 (0.43) ACHEGRIN2BAOC3MAP4K4
SCHEMBL4457000 0.78 PTGS2 (0.44) ACHEGRIN2BAOC3
SCHEMBL4452034 0.78 CA2 (0.44) ACHEGRIN2BAOC3KMT2AMAP4K4
SCHEMBL4455478 0.77 GPR119 (0.46) ACHEGRIN2BAOC3MAP4K4
SCHEMBL4453746 0.77 SMN1; SMN2 (0.46) ACHEGRIN2BAOC3KMT2A
SCHEMBL14191526 0.76 GPR119 (0.48) GRIN2B

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 ACHE 3328/4885GRIN2B 565/4885AOC3 999/4885

“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.