SCHEMBL6659306

SCHEMBL6659306

CC(O)[C@H]1O[C@@H](n2cnc3c(NC4C[C@@H]5CC[C@H]4C5)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.71
ADORA3 P0DMS8 5/20 0.71
ADORA2A P29274 4/20 0.71
ADORA2B P29275 2/20 0.71
HIF1A Q16665 1/20 0.71
LMNA P02545 1/20 0.71
MAPT P10636 1/20 0.71
BLM P54132 1/20 0.71
PMP22 Q01453 1/20 0.71
HTR7 P34969 1/20 0.70
TMEM97 Q5BJF2 1/20 0.70
SIGMAR1 Q99720 1/20 0.70

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
SCHEMBL6659314 1.00 ADORA1 (0.71) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL10866451 0.87 ADORA1 (0.76) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL6659887 0.85 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL14903066 0.84 ADORA1 (0.84) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL12265125 0.83 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL13276118 0.83 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL2248193 0.83 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL21033426 0.83 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL10608249 0.83 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BHIF1A
SCHEMBL14829269 0.83 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BHIF1A

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-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

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.