SCHEMBL4745663

SCHEMBL4745663

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.53
CHEK2 O96017 1/20 0.48
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
TOP2A P11388 1/20 0.45
FAAH O00519 1/20 0.45
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44

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
SCHEMBL14127666 0.89 GPR119 (0.51) GPR119CHEK2PDE4APDE4BPDE4C
SCHEMBL19473362 0.87 PRMT5 (0.45) GPR119FAAH
SCHEMBL4784604 0.87 CHEK2 (0.51) GPR119CHEK2PDE4B
SCHEMBL4742807 0.87 CHEK2 (0.51) GPR119CHEK2PDE4B
SCHEMBL17559499 0.86 PRMT5 (0.44) GPR119FAAH
SCHEMBL20137483 0.86 GPR119 (0.52) GPR119CHEK2NPBWR1MCHR1
SCHEMBL21606937 0.86 GPR119 (0.52) GPR119CHEK2NPBWR1MCHR1
SCHEMBL2775170 0.85 GPR119 (0.54) GPR119CHEK2
SCHEMBL18475482 0.85 GPR119 (0.51) GPR119CHEK2PDE4APDE4BPDE4C
SCHEMBL4264039 0.85 GPR119 (0.51) GPR119CHEK2PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 WO disclosed
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
WO-2008109613-A1 BENZO[C][2,7]NAPHTHYRIDINE DERIVATIVES, AND THEIR USE AS KINASE INHIBITORS WYETH (US) 2008-09-12 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-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.