SCHEMBL15049907

SCHEMBL15049907

COC(=O)N(C)c1cccc(C(=O)Cn2c(=O)c3c(nc(N4CCCC(NC(=O)OC(C)(C)C)C4)n3CC=C(C)C)n(C)c2=O)c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.65
CHRM1 P11229 2/20 0.58
CHRM2 P08172 1/20 0.58
CHRM3 P20309 1/20 0.58
KCNH2 Q12809 1/20 0.58

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
SCHEMBL637381 0.91 DPP4 (0.67) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL638224 0.91 DPP4 (0.68) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL556267 0.90 DPP4 (0.65) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL555066 0.90 DPP4 (0.73) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL638033 0.90 DPP4 (0.73) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL555293 0.90 DPP4 (0.69) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL555887 0.90 DPP4 (0.70) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL554807 0.90 DPP4 (0.68) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL1457685 0.89 DPP4 (0.72) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL1457548 0.89 DPP4 (0.72) DPP4CHRM1CHRM2CHRM3KCNH2

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-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-06-27 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-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 334/4885CHRM2 599/4885

“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.