SCHEMBL14045501

SCHEMBL14045501

C=CCn1c(=O)c2nc(N3CCC[C@@H](N)C3)n(CC)c2c(=O)n1Cc1ccc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.56
CYP3A4 P08684 1/20 0.46
CHRM1 P11229 1/20 0.42

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
SCHEMBL8284274 0.91 DPP4 (0.59) DPP4CYP3A4CHRM1
SCHEMBL4805115 0.90 DPP4 (0.68) DPP4CYP3A4CHRM1
SCHEMBL4805119 0.90 DPP4 (0.68) DPP4CYP3A4CHRM1
SCHEMBL8283956 0.89 DPP4 (0.56) DPP4CYP3A4
SCHEMBL8284557 0.89 DPP4 (0.60) DPP4CYP3A4
SCHEMBL8284547 0.88 DPP4 (0.56) DPP4CYP3A4CHRM1
SCHEMBL8283517 0.88 DPP4 (0.56) DPP4CYP3A4
SCHEMBL14045480 0.88 DPP4 (0.56) DPP4CYP3A4
SCHEMBL14045502 0.88 DPP4 (0.60) DPP4CYP3A4CHRM1
SCHEMBL8283516 0.88 DPP4 (0.60) DPP4CYP3A4CHRM1

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 3 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

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 1/4885CYP3A4 13/4885CHRM1 624/4885

“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.