SCHEMBL5409769

SCHEMBL5409769

O=C(OC[C@@H]1C[C@@H](O)[C@H](n2cnc3c(N[C@H]4CCC[C@@H]4O)ncnc32)O1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 10/20 0.56
▸ ADORA1 P30542 9/20 0.56
▸ ADORA3 P0DMS8 7/20 0.56
▸ ADORA2B P29275 3/20 0.56
▸ CYP2D6 P10635 1/20 0.56

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
SCHEMBL5386756 0.98 ADORA1 (0.53) ADORA2AADORA1ADORA3ADORA2BCYP2D6
SCHEMBL5397689 0.90 ADORA2A (0.52) ADORA2AADORA1ADORA3ADORA2BCYP2D6
SCHEMBL5397683 0.90 ADORA2A (0.52) ADORA2AADORA1ADORA3ADORA2BCYP2D6
SCHEMBL5401302 0.89 ADORA2A (0.50) ADORA2AADORA1ADORA3ADORA2BCYP2D6
SCHEMBL5401307 0.89 ADORA2A (0.50) ADORA2AADORA1ADORA3ADORA2BCYP2D6
SCHEMBL5401465 0.88 ADORA1 (0.50) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5396369 0.88 ADORA1 (0.50) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL14593744 0.88 ADORA1 (0.50) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5409612 0.86 ADORA1 (0.63) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5399226 0.83 ADORA1 (0.72) ADORA2AADORA1ADORA3ADORA2BCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163928-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2007-01-16 — — US disclosed
US-20040198691-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. 2004-10-07 — — US 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-20040198691-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 ADORA2A 2/4885ADORA1 1/4885ADORA3 3/4885

“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.

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