SCHEMBL6658834

SCHEMBL6658834

COC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 18/20 0.80
ADORA3 P0DMS8 4/20 0.80
ADORA2A P29274 2/20 0.80
ADORA2B P29275 2/20 0.80
SLC28A1 O00337 1/20 0.80
SLC29A1 Q99808 1/20 0.80

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
SCHEMBL14906447 1.00 ADORA1 (0.80) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL6660602 0.94 ADORA3 (0.86) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL6660596 0.94 ADORA3 (0.86) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL13454893 0.90 ADORA1 (0.84) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL14903071 0.90 ADORA1 (0.84) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL13075647 0.89 ADORA1 (0.77) ADORA1ADORA3ADORA2AADORA2BSLC28A1
Tecadenoson SCHEMBL24838611 0.89 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BSLC28A1
Tecadenoson SCHEMBL6226634 0.89 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BSLC28A1
Tecadenoson SCHEMBL22349437 0.89 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BSLC28A1
Tecadenoson SCHEMBL472549 0.89 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BSLC28A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030856-B1 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2004-08-18 EP claimed
US-6740644-B2 ADENOSINE DERIVATIVES, AGONISTS AT THE ADENOSINE A1 RECEPTOR SMITHKLINE BEECHAM CORPORATION 2004-05-25 US claimed
US-20030158146-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2003-08-21 US claimed
EP-1030856-B1 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed
US-6740644-B2 ADENOSINE DERIVATIVES, AGONISTS AT THE ADENOSINE A1 RECEPTOR SMITHKLINE BEECHAM CORPORATION 2004-05-25 US disclosed
US-20030158146-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2003-08-21 US disclosed
US-6544960-B1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2003-04-08 US disclosed
EP-1030856-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-30 EP disclosed
WO-1999024451-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-20030158146-A1 Chemical compounds CNR1, ADORA3, ADORA1 ADORA1 3/4885ADORA3 2/4885ADORA2A 9/4885

“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.