SCHEMBL4769258

SCHEMBL4769258

COn1c(=O)c([N+](=O)[O-])c(C)n(CC2CC2)c1=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.33
PDE5A O76074 6/20 0.33
PDE4A P27815 6/20 0.33
PDE4B Q07343 6/20 0.33
PDE4C Q08493 6/20 0.33
GNRHR P30968 1/20 0.33
AR P10275 1/20 0.32
NOTUM Q6P988 1/20 0.31
KCNH2 Q12809 1/20 0.31
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL4769379 0.82 ALDH1A1 (0.42) PDE4DPDE5APDE4APDE4BPDE4C
SCHEMBL4767817 0.81 PARG (0.38) PDE4DPDE5APDE4APDE4BPDE4C
SCHEMBL4771274 0.78 PDE5A (0.46) PDE4DPDE5APDE4APDE4BPDE4C
SCHEMBL4762679 0.78 PDE5A (0.33) PDE5AGNRHRPDE1APDE1BPDE1C
SCHEMBL4767318 0.77 AR (0.34) PDE4DPDE5APDE4APDE4BPDE4C
SCHEMBL4767961 0.76 PDE4D (0.38) PDE4DPDE5APDE4APDE4BPDE4C
SCHEMBL4767673 0.75 PDE5A (0.53) PDE4DPDE5APDE4APDE4BPDE4C
SCHEMBL4771049 0.73 MAPT (0.37)
SCHEMBL4765718 0.72 PDE4D (0.46) PDE4DPDE5APDE4APDE4BPDE4C
SCHEMBL4771453 0.72 ADORA3 (0.44) PDE4DPDE5APDE4APDE4BPDE4C

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
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
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 PDE4D 341/4885PDE5A 736/4885PDE4A 182/4885

“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.