SCHEMBL4767903

SCHEMBL4767903

CCCCn1c(=O)c([N+](=O)[O-])c(C)n(CC(C)C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 1/20 0.46
RGS8 P57771 1/20 0.46
TNF P01375 1/20 0.36
PDE4A P27815 3/20 0.35
ADORA2A P29274 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
PDE2A O00408 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
KMT2A Q03164 4/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ADORA2B P29275 2/20 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
SCHEMBL4766301 0.96 RGS4 (0.47) RGS4RGS8TNFADORA2APDE2A
SCHEMBL4769165 0.89 PDE4A (0.39) RGS4RGS8PDE4AADORA2APDE4B
SCHEMBL4770944 0.89 ADORA2A (0.39) RGS4RGS8ADORA2APDE2APDE1A
SCHEMBL8176996 0.88 RGS4 (0.36) RGS4RGS8PDE4AADORA2APDE4B
SCHEMBL4763645 0.86 SIRT1 (0.40) RGS4RGS8TNFADORA2APDE2A
SCHEMBL4767722 0.81 PDE4A (0.40) RGS4RGS8TNFPDE4AADORA2A
SCHEMBL4762282 0.81 PDE1A (0.47) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL4772714 0.80 ADORA2B (0.39) RGS4RGS8TNFPDE4AADORA2A
SCHEMBL4762458 0.80 PDE1A (0.44) PDE4APDE4BPDE4CPDE4DPDE2A
SCHEMBL4229116 0.79 ADORA2A (0.40) PDE4AADORA2APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 RGS4 860/4885RGS8 782/4885TNF 2253/4885

“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.