SCHEMBL6661361

SCHEMBL6661361

OC1C(O)[C@@H](CF)O[C@H]1n1cnc2c(NC3CCOCC3)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 1.00
ADORA2A P29274 6/20 1.00
ADORA1 P30542 6/20 1.00
ADORA2B P29275 4/20 0.74
SLC29A1 Q99808 2/20 0.74
SLC28A1 O00337 1/20 0.74
TSHR P16473 3/20 0.70
PMP22 Q01453 2/20 0.70
GAA P10253 1/20 0.70
HTT P42858 1/20 0.70
SIGMAR1 Q99720 1/20 0.70
RXFP1 Q9HBX9 1/20 0.70
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
TP53 P04637 1/20 0.70
NFKB1 P19838 1/20 0.70
HIF1A Q16665 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
CYP2C19 P33261 1/20 0.69

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
SCHEMBL6661352 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL6253593 0.89 ADORA2A (0.80) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL6685504 0.87 ADORA3 (0.78) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL6660602 0.87 ADORA3 (0.86) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL6660596 0.87 ADORA3 (0.86) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL7067723 0.87 ADORA1 (0.77) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL7067730 0.87 ADORA1 (0.77) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL7067593 0.87 ADORA1 (0.77) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL7067588 0.87 ADORA1 (0.77) ADORA3ADORA2AADORA1ADORA2BSLC29A1
SCHEMBL6661148 0.85 ADORA3 (0.75) ADORA3ADORA2AADORA1ADORA2BSLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1457495-A1 Adenosine A1 receptor agonists GLAXO GROUP LIMITED (GB) 2004-09-15 EP claimed
US-6455510-B1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2002-09-24 US claimed
EP-1030857-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-30 EP claimed
WO-1999024449-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO claimed
EP-1457495-A1 Adenosine A1 receptor agonists GLAXO GROUP LIMITED (GB) 2004-09-15 EP disclosed
EP-1030857-B1 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed
US-20030004126-A1 Formulations of adenosine A1 agonists BOUNTRA CHARANJIT (GB) 2003-01-02 US disclosed
EP-1248632-A2 COMBINATIONS OF AN ADENOSINE A1 AGONIST WITH AN OPIOID AND THEIR USE IN THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2002-10-16 EP disclosed
US-6455510-B1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2002-09-24 US disclosed
WO-2001045715-A2 COMBINATIONS OF AN ADENOSINE A1 AGONIST WITH AN OPIOID AND THEIR USE IN THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2001-06-28 WO disclosed
EP-1030857-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-30 EP disclosed
WO-1999024449-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 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-20030004126-A1 Formulations of adenosine A1 agonists ADORA1, ADORA2A, ADORA3 ADORA3 3/4885ADORA2A 2/4885ADORA1 1/4885

“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.