SCHEMBL6661610

SCHEMBL6661610

COC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(OCC(=O)O)cc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.68
ADORA3 P0DMS8 4/20 0.67
ADORA2B P29275 4/20 0.65
ADORA2A P29274 2/20 0.65
DNPH1 O43598 1/20 0.63
LMNA P02545 2/20 0.61
ALDH1A1 P00352 1/20 0.61
GLA P06280 1/20 0.61
PMP22 Q01453 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
NPC1 O15118 1/20 0.61
NPY1R P25929 1/20 0.61
HTT P42858 1/20 0.61
NPY2R P49146 1/20 0.61
RAB9A P51151 1/20 0.61
SLC29A1 Q99808 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
CYP1A2 P05177 1/20 0.61
TSHR P16473 1/20 0.61
NFKB1 P19838 1/20 0.61

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
SCHEMBL6559701 0.87 ADORA3 (0.77) ADORA1ADORA3DNPH1LMNAALDH1A1
SCHEMBL6559694 0.87 ADORA3 (0.77) ADORA1ADORA3DNPH1LMNAALDH1A1
SCHEMBL6659305 0.85 ADORA1 (0.72) ADORA1ADORA3ADORA2BADORA2ADNPH1
SCHEMBL6659300 0.85 ADORA1 (0.72) ADORA1ADORA3ADORA2BADORA2ADNPH1
SCHEMBL6659804 0.85 ADORA1 (0.65) ADORA1ADORA3ADORA2BADORA2ADNPH1
SCHEMBL28593310 0.81 ADORA1 (1.00) ADORA1ADORA2BADORA2ALMNAALDH1A1
Gr-190178 SCHEMBL6559907 0.80 ADORA3 (1.00) ADORA1ADORA3DNPH1LMNAALDH1A1
SCHEMBL6657691 0.80 ADORA3 (0.81) ADORA1ADORA3DNPH1LMNAALDH1A1
Gr-190178 SCHEMBL6559897 0.80 ADORA3 (1.00) ADORA1ADORA3DNPH1LMNAALDH1A1
SCHEMBL6657697 0.80 ADORA3 (0.81) ADORA1ADORA3DNPH1LMNAALDH1A1

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 10 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-6544960-B1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2003-04-08 US claimed
EP-1030856-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-30 EP claimed
WO-1999024451-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO 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 2/4885ADORA2B 30/4885

“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.