SCHEMBL7533607

SCHEMBL7533607

CC(C)=CCN1c2c(n(C)c(=O)[nH]c2=O)N(C(C)C(=O)O)C1N1CCC[C@H](N)C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.36
KCNH2 Q12809 6/20 0.34
CHRM1 P11229 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
FAP Q12884 1/20 0.32

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
SCHEMBL27600213 0.72 DPP4 (0.36) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL554964 0.67 DPP4 (0.39) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL27600222 0.66 TSHR (0.39) DPP4KCNH2
SCHEMBL2997185 0.65 DPP4 (0.40) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL28749952 0.64 DPP4 (0.40) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL28749946 0.63 DPP4 (0.43) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL2963847 0.62 DPP4 (0.34) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL27600539 0.62 DPP4 (0.42) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL27600224 0.62 DPP4 (0.38) DPP4KCNH2CHRM1CHRM2CHRM3
SCHEMBL27582935 0.62 DPP4 (0.40) DPP4KCNH2CHRM1CHRM2CHRM3

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-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-26 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-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 DPP4 1/4885KCNH2 3381/4885CHRM1 805/4885

“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.