SCHEMBL4767726

SCHEMBL4767726

CCCCn1c(C)cc(=O)n(CCCC)c1=O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.57
ADRA2A P08913 3/20 0.51
ACHE P22303 5/20 0.51
BCHE P06276 4/20 0.51
ALDH1A1 P00352 3/20 0.44
RGS4 P49798 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL19147985 0.94 CNR2 (0.63) CNR2ADRA2AACHEBCHEALDH1A1
SCHEMBL8175634 0.89 ADRA2A (0.50) CNR2ADRA2AACHEBCHEALDH1A1
SCHEMBL4469156 0.88 CNR2 (0.49) CNR2ADRA2AACHEBCHEALDH1A1
SCHEMBL8174724 0.87 ALDH1A1 (0.55) CNR2ADRA2AACHEBCHEALDH1A1
SCHEMBL11730694 0.84 ADRA2A (0.44) CNR2ADRA2AACHEBCHEALDH1A1
SCHEMBL27169532 0.80 CNR2 (0.55) CNR2ADRA2AACHEBCHEALDH1A1
SCHEMBL2336285 0.79 ALDH1A1 (0.45) CNR2ADRA2AALDH1A1RGS4L3MBTL1
SCHEMBL11556471 0.78 ALDH1A1 (0.52) CNR2ACHEBCHEALDH1A1POLB
SCHEMBL29022236 0.78 POLB (0.68) CNR2ADRA2AALDH1A1POLBKDM4E
SCHEMBL13349387 0.77 ALDH1A1 (0.41) CNR2ADRA2AALDH1A1RGS4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144764-A1 PYRIMIDINEDIONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-06-10 US disclosed
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 (2 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 CNR2 21/4885ADRA2A 11/4885ACHE 1383/4885
US-20100144764-A1 PYRIMIDINEDIONE DERIVATIVES AND METHODS OF USE THEREOF DPYD, TYMS, FPGS CNR2 2148/4885ADRA2A 3190/4885ACHE 2886/4885

“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.