SCHEMBL4471480

SCHEMBL4471480

CC#CCn1c(N(C)C[C@H](C)NC(=O)OC(C)(C)C)nc2c1c(=O)n(Cc1ccc3ncccc3n1)c(=O)n2C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.44
FAP Q12884 4/20 0.41
TRPA1 O75762 1/20 0.34

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
SCHEMBL4474082 0.88 DPP4 (0.51) DPP4FAPTRPA1
SCHEMBL4472053 0.85 DPP4 (0.44) DPP4
SCHEMBL4476399 0.84 DPP4 (0.48) DPP4FAPTRPA1
SCHEMBL4468648 0.84 DPP4 (0.48) DPP4FAPTRPA1
SCHEMBL4480411 0.83 DPP4 (0.53) DPP4FAP
SCHEMBL4465821 0.83 DPP4 (0.53) DPP4FAP
SCHEMBL4475888 0.82 DPP4 (0.47) DPP4
SCHEMBL8273228 0.81 DPP4 (0.48) DPP4FAP
SCHEMBL4472323 0.81 DPP4 (0.50) DPP4
SCHEMBL8273233 0.80 DPP4 (0.51) DPP4FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495002-B2 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-24 US disclosed
US-20060079541-A1 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-13 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-20060079541-A1 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 DPP4 1/4885FAP 110/4885TRPA1 2440/4885

“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.