SCHEMBL5401465

SCHEMBL5401465

O=C(OC[C@@H]1C[C@@H](O)[C@H](n2cnc3c(NC4CCC(O)CC4)ncnc32)O1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 4/20 0.50
▸ ADORA2A P29274 1/20 0.49
▸ ADORA2B P29275 1/20 0.49
▸ ADORA3 P0DMS8 3/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47

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
SCHEMBL14593744 1.00 ADORA1 (0.50) ADORA1ADORA2AADORA2BADORA3TAS1R3
SCHEMBL5396369 1.00 ADORA1 (0.50) ADORA1ADORA2AADORA2BADORA3TAS1R3
SCHEMBL5409612 0.90 ADORA1 (0.63) ADORA1ADORA2AADORA2BADORA3
SCHEMBL5395711 0.89 ADORA1 (0.46) ADORA1ADORA2AADORA2BADORA3
SCHEMBL14593749 0.89 ADORA1 (0.46) ADORA1ADORA2AADORA2BADORA3
SCHEMBL5395722 0.89 ADORA1 (0.46) ADORA1ADORA2AADORA2BADORA3
SCHEMBL5401260 0.88 NT5E (0.52) ADORA1ADORA2AADORA2BADORA3
SCHEMBL5409769 0.88 ADORA2A (0.56) ADORA1ADORA2AADORA2BADORA3
SCHEMBL5386756 0.88 ADORA1 (0.53) ADORA1ADORA2AADORA2BADORA3
SCHEMBL9444432 0.83 ABCB1 (0.56) —

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 4 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
EP-1590359-A2 PARTIAL AND FULL AGONISTS OF A sb 1 /sb ADENOSINE RECEPTORS CV Therapeutics Inc. (US) 2005-11-02 — — EP disclosed
US-20040198691-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. 2004-10-07 — — US disclosed
WO-2004069185-A2 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS INC. (US) 2004-08-19 — — 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-20040198691-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885ADORA2B 5/4885

“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.

Send feedback