SCHEMBL2085115

SCHEMBL2085115

CC/C=C(\CCC)c1cccc2[nH]c(=O)n(C)c12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
DAO P14920 2/20 0.38
LMNA P02545 1/20 0.35
DPP4 P27487 1/20 0.34
CYP1A2 P05177 2/20 0.34
HTR1A P08908 8/20 0.33
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX5 P09917 1/20 0.33
NPEPPS P55786 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2085117 1.00 ADORA3 (0.39) ADORA3ADORA2AADORA2BADORA1DAO
SCHEMBL13015570 0.73 DAO (0.46) ADORA3ADORA2AADORA2BADORA1DAO
SCHEMBL6768286 0.72 BRD4 (0.44) ADORA3ADORA2AADORA2BADORA1DAO
SCHEMBL6766709 0.72 PARP1 (0.45) ADORA3ADORA2AADORA2BADORA1DAO
SCHEMBL2084601 0.70 PDE3B (0.36) ADORA3ADORA2AADORA2BADORA1DAO
SCHEMBL2084599 0.70 PDE3B (0.36) ADORA3ADORA2AADORA2BADORA1DAO
SCHEMBL2084597 0.70 PDE3B (0.36) ADORA3ADORA2AADORA2BADORA1DAO
SCHEMBL2084410 0.70 DAO (0.43) ADORA3ADORA2AADORA2BADORA1DAO
SCHEMBL6766587 0.70 DAO (0.43) ADORA3ADORA2AADORA2BADORA1DAO
SCHEMBL13015488 0.68 DAO (0.50) ADORA3ADORA2AADORA2BADORA1DAO

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 ADORA3 295/4885ADORA2A 658/4885ADORA2B 497/4885

“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.