SCHEMBL2085447

SCHEMBL2085447

CCc1ccccc1-c1cccc2[nH]c(=O)n(C)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
NPEPPS P55786 1/20 0.47
ADORA3 P0DMS8 2/20 0.45
ADORA2B P29275 2/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DAO P14920 4/20 0.40
OPRM1 P35372 1/20 0.38
DDO Q99489 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
MAOB P27338 1/20 0.35
CHEK1 O14757 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
SCHEMBL31281996 0.74 DPP4 (0.48) DPP4NPEPPSADORA3ADORA2BADORA2A
SCHEMBL13015480 0.72 DAO (0.66) DPP4ADORA3ADORA2BADORA2AADORA1
SCHEMBL13015485 0.71 DAO (0.48) DPP4ADORA3ADORA2BADORA2AADORA1
SCHEMBL2084761 0.71 ADORA3 (0.42) DPP4NPEPPSADORA3ADORA2BADORA2A
SCHEMBL25122976 0.71 MEN1 (0.51) DPP4NPEPPSADORA3ADORA2BADORA2A
SCHEMBL13954881 0.70 DAO (0.64) DPP4ADORA3ADORA2BADORA2AADORA1
SCHEMBL2085713 0.70 ADORA3 (0.49) DPP4ADORA3ADORA2BADORA2AADORA1
SCHEMBL13015488 0.70 DAO (0.50) DPP4ADORA3ADORA2BADORA2AADORA1
SCHEMBL31747293 0.70 ADORA3 (0.49) DPP4ADORA3ADORA2BADORA2AADORA1
SCHEMBL29502192 0.70 DAO (0.50) DPP4ADORA3ADORA2BADORA2AADORA1

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-8163935-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed
US-20090312383-A1 Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 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-20090312383-A1 Fused Heterocyclic Compounds NPY4R, CRHR1, CNR1 DPP4 1366/4885NPEPPS 4314/4885ADORA3 295/4885

“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.