SCHEMBL8284573

SCHEMBL8284573

CCn1c(N2CCC[C@@H](N)C2)nc2c(=O)n(C)n(CC(=O)c3ccccc3)c(=O)c21

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.57
CHRM1 P11229 4/20 0.56
CHRM2 P08172 1/20 0.56
CHRM3 P20309 1/20 0.56
KCNH2 Q12809 1/20 0.56

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
SCHEMBL4809974 0.89 DPP4 (0.71) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL4809964 0.89 DPP4 (0.71) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL14045563 0.88 DPP4 (0.54) DPP4CHRM1CHRM2CHRM3KCNH2
Trifluoroacetic Acid SCHEMBL4817566 0.85 DPP4 (0.66) DPP4CHRM1CHRM2CHRM3KCNH2
SCHEMBL14148451 0.81 DPP4 (0.62) DPP4
SCHEMBL8283962 0.81 DPP4 (0.63) DPP4CHRM1CHRM3KCNH2
SCHEMBL8284557 0.80 DPP4 (0.60) DPP4
SCHEMBL14045473 0.80 DPP4 (0.82) DPP4
SCHEMBL14045567 0.80 DPP4 (0.57) DPP4KCNH2
SCHEMBL14148712 0.79 DPP4 (0.54) DPP4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432262-B2 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-07 US disclosed
US-7393847-B2 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2008-07-01 US disclosed
US-20070142383-A1 Imidazopyridazinediones, Their Preparation And Their Use As Pharmaceutical Compositions ECKHARDT MATTHIAS 2007-06-21 US disclosed
WO-2005087774-A1 IMIDAZOPYRIDAZINE DIONES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 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-20070142383-A1 Imidazopyridazinediones, Their Preparation And Their Use As Pharmaceutical Compositions DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 624/4885CHRM2 1075/4885

“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.