SCHEMBL3974679

SCHEMBL3974679

CC(C)=CCN1c2c(nc(CCc3ccccc3)n(C)c2=O)N(OC(=O)C(F)(F)F)C1N1CCCC(N)C1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.45
CHRM1 P11229 4/20 0.41
KCNH2 Q12809 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
FAP Q12884 1/20 0.35

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
SCHEMBL3974663 0.88 DPP4 (0.41) DPP4CHRM1KCNH2CHRM2CHRM3
SCHEMBL3971380 0.82 DPP4 (0.40) DPP4CHRM1KCNH2
SCHEMBL3971512 0.81 DPP4 (0.39) DPP4CHRM1KCNH2CHRM2CHRM3
SCHEMBL3973726 0.81 DPP4 (0.39) DPP4
SCHEMBL3975266 0.81 DPP4 (0.39) DPP4KCNH2
SCHEMBL3965788 0.80 DPP4 (0.36) DPP4
SCHEMBL3971268 0.80 DPP4 (0.38) DPP4KCNH2
SCHEMBL3971303 0.78 DPP4 (0.37) DPP4KCNH2
SCHEMBL1071796 0.78 DPP4 (0.37) DPP4
SCHEMBL3973460 0.77 TP53 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569574-B2 Purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-04 US disclosed
US-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 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-20040122228-A1 New purine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 DPP4 1/4885CHRM1 1289/4885KCNH2 3017/4885

“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.