SCHEMBL4766301

SCHEMBL4766301

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 2/20 0.47
RGS8 P57771 1/20 0.47
CNR2 P34972 3/20 0.35
PDE2A O00408 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
TNF P01375 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PSMD14 O00487 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL4767903 0.96 RGS4 (0.46) RGS4RGS8PDE2APDE1APDE1B
SCHEMBL4769165 0.90 PDE4A (0.39) RGS4RGS8CNR2NPSR1KMT2A
SCHEMBL8176996 0.89 RGS4 (0.36) RGS4RGS8CNR2PDE2APDE1A
SCHEMBL4770944 0.87 ADORA2A (0.39) RGS4RGS8PDE2APDE1APDE1B
SCHEMBL4763645 0.84 SIRT1 (0.40) RGS4RGS8PDE2APDE1APDE1B
SCHEMBL8174835 0.82 NCOA1 (0.43) RGS4RGS8CNR2NPSR1KDM4E
SCHEMBL4772714 0.81 ADORA2B (0.39) RGS4RGS8CNR2TNFKDM4E
SCHEMBL4762458 0.81 PDE1A (0.44) PDE2APDE1APDE1BPDE1CNPSR1
SCHEMBL4229116 0.81 ADORA2A (0.40) NPSR1NPC1CYP1A2MAPTLMNA
SCHEMBL4762282 0.80 PDE1A (0.47) PDE2APDE1APDE1BPDE1CNPSR1

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 782/4885CNR2 21/4885

“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.