SCHEMBL6107250

SCHEMBL6107250

CC(C)Cn1c(CN(C(=O)O)C(C)(C)C)c(-c2cccs2)c2cc(OCc3ccccc3)ccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.45
EDNRA P25101 1/20 0.39
FFAR1 O14842 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37

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
SCHEMBL6107959 0.89 DPP4 (0.57) DPP4
SCHEMBL6110225 0.89 DPP4 (0.57) DPP4
SCHEMBL6105994 0.87 DPP4 (0.50) DPP4
SCHEMBL6110160 0.87 DPP4 (0.40) DPP4
SCHEMBL5233942 0.86 DPP4 (0.49) DPP4EDNRATNKS2PARP2
SCHEMBL6106801 0.86 DPP4 (0.56) DPP4
SCHEMBL6107683 0.85 DPP4 (0.58) DPP4
SCHEMBL6109132 0.85 DPP4 (0.46) DPP4EDNRA
SCHEMBL6108722 0.85 DPP4 (0.51) DPP4
SCHEMBL6109482 0.85 DPP4 (0.51) DPP4

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
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
WO-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 DPP4 2/4885EDNRA 948/4885FFAR1 1185/4885

“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.