SCHEMBL4894776

SCHEMBL4894776

CC(C)(C)OC(=O)N1CCC(Oc2cncc(C(=O)n3ccnc3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.47
CHEK2 O96017 1/20 0.43
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL4890923 0.90 CHEK2 (0.46) GPR119CHEK2PDE4B
SCHEMBL4786440 0.90 CHEK2 (0.46) GPR119CHEK2PDE4B
SCHEMBL4786833 0.86 ALDH1A1 (0.44) ALDH1A1HTT
SCHEMBL4745663 0.84 GPR119 (0.53) GPR119CHEK2PDE4APDE4BPDE4C
SCHEMBL14127666 0.82 GPR119 (0.51) GPR119CHEK2PDE4APDE4BPDE4C
SCHEMBL20137483 0.80 GPR119 (0.52) GPR119CHEK2
SCHEMBL21606937 0.80 GPR119 (0.52) GPR119CHEK2
SCHEMBL18475482 0.79 GPR119 (0.51) GPR119CHEK2PDE4APDE4BPDE4C
SCHEMBL4264039 0.79 GPR119 (0.51) GPR119CHEK2PDE4APDE4BPDE4C
SCHEMBL2775170 0.79 GPR119 (0.54) GPR119CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 GPR119 2327/4885CHEK2 536/4885PDE4A 354/4885

“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.