SCHEMBL5237963

SCHEMBL5237963

CC(C)Cn1c(CN2C(=O)c3ccccc3C2=O)c(-c2cccc(F)c2)c2cc(OCc3ccccc3)ccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.49
NPSR1 Q6W5P4 1/20 0.42
KCNA5 P22460 1/20 0.41
KCNH2 Q12809 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
SCHEMBL5231276 0.92 DPP4 (0.57) DPP4NPSR1
SCHEMBL5240092 0.92 DPP4 (0.51) DPP4NPSR1
SCHEMBL5239839 0.89 DPP4 (0.57) DPP4NPSR1
SCHEMBL5234775 0.88 DPP4 (0.48) DPP4NPSR1
SCHEMBL5233860 0.88 DPP4 (0.56) DPP4NPSR1
SCHEMBL5238427 0.87 DPP4 (0.53) DPP4KCNA5KCNH2
SCHEMBL5234247 0.87 DPP4 (0.55) DPP4KCNA5KCNH2
SCHEMBL5234720 0.87 DPP4 (0.52) DPP4NPSR1
Hydrochloric Acid SCHEMBL5239177 0.86 DPP4 (0.65) DPP4
SCHEMBL5233973 0.84 DPP4 (0.53) DPP4KCNA5KCNH2

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
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 DPP4 2/4885NPSR1 2290/4885KCNA5 1288/4885

“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.