SCHEMBL13778043

SCHEMBL13778043

CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3cc(NCc4ccc(Cl)cc4Cl)n4nccc4n3)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.45
ADORA2A P29274 3/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADORA2B P29275 2/20 0.42
CFTR P13569 2/20 0.42
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
PADI4 Q9UM07 1/20 0.39
KDM4D Q6B0I6 2/20 0.38
SUV39H2 Q9H5I1 4/20 0.38
USP30 Q70CQ3 1/20 0.37
PARP1 P09874 1/20 0.37
KDM5B Q9UGL1 1/20 0.37

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
SCHEMBL13777980 0.84 DPP4 (0.59) DPP4CCNE1CDK2
SCHEMBL13780241 0.83 DPP4 (0.61) DPP4KDM4DSUV39H2
SCHEMBL13780562 0.83 DPP4 (0.61) DPP4KDM4DSUV39H2
SCHEMBL13777981 0.81 DPP4 (0.48) DPP4CCNE1CDK2
SCHEMBL4218524 0.81 DPP4 (0.47) DPP4CCNE1CDK2
SCHEMBL4203250 0.78 CCNE1 (0.50) DPP4CCNE1CDK2
SCHEMBL4205075 0.77 CDK2 (0.52) DPP4CCNE1CDK2
SCHEMBL4207264 0.76 CDK2 (0.64) DPP4CCNE1CDK2
SCHEMBL4207269 0.73 CDK2 (0.60) DPP4CCNE1CDK2
SCHEMBL13778060 0.71 CDK2 (0.47) DPP4CCNE1CDK2

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-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 US disclosed
US-20090182142-A1 Aromatic Compound FURUKUBO SHIGERU 2009-07-16 US disclosed
EP-1956009-A1 AROMATIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-13 EP 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-20090182142-A1 Aromatic Compound HRH4, CCR4, HRH3 DPP4 879/4885ADORA2A 2487/4885ADORA3 478/4885

“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.