SCHEMBL4767882

SCHEMBL4767882

CCOC(=O)c1cnn(Cc2cccc(F)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.56
KLKB1 P03952 1/20 0.54
SCD O00767 11/20 0.50
SCD5 Q86SK9 8/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
PAX8 Q06710 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
P2RY12 Q9H244 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL27379736 0.88 GRM2 (0.55) GRM2KLKB1SMN1; SMN2HPGDLMNA
SCHEMBL28587535 0.87 SMN1; SMN2 (0.50) GRM2KLKB1SMN1; SMN2HPGDLMNA
SCHEMBL30119622 0.87 SMN1; SMN2 (0.50) GRM2KLKB1SMN1; SMN2HPGDLMNA
SCHEMBL1546755 0.86 GRM2 (0.50) GRM2SCD5SMN1; SMN2HPGDADORA2A
SCHEMBL3093449 0.85 GRM2 (0.63) GRM2KLKB1SMN1; SMN2LMNAKMT2A
SCHEMBL553848 0.85 ALDH1A1 (0.60) GRM2KLKB1SMN1; SMN2LMNATDP1
SCHEMBL4771423 0.85 MEN1 (0.62) GRM2KLKB1SMN1; SMN2HPGDLMNA
SCHEMBL2824923 0.84 GRM2 (0.57) GRM2KLKB1SCDSMN1; SMN2HPGD
SCHEMBL30755417 0.84 GRM2 (0.57) GRM2KLKB1SCDSMN1; SMN2HPGD
SCHEMBL31591067 0.83 KLKB1 (0.58) GRM2KLKB1SMN1; SMN2HPGDLMNA

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 GRM2 625/4885KLKB1 2283/4885SCD 3283/4885

“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.