SCHEMBL7789580

SCHEMBL7789580

O[C@@H]1[C@H](O)[C@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)O[C@@H]1CSc1ccc(F)cc1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 18/20 0.79
ADORA3 P0DMS8 7/20 0.79
ADORA2A P29274 6/20 0.79
ADORA2B P29275 2/20 0.71
SLC28A1 O00337 1/20 0.71
SLC29A1 Q99808 1/20 0.71

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
SCHEMBL6390452 1.00 ADORA1 (0.79) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL7787928 0.92 ADORA1 (0.74) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL7785896 0.92 ADORA1 (0.74) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL6391957 0.92 ADORA1 (0.74) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL6394360 0.92 ADORA1 (0.74) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL6393659 0.92 ADORA1 (0.81) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL6389328 0.91 ADORA1 (0.73) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL6398040 0.91 ADORA1 (0.78) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL7789572 0.91 ADORA1 (0.78) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL6396219 0.91 ADORA1 (0.75) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010008883-A1 Method of identifying partial adenosine A1 receptor agonists and their use in the treatment of arrhythmias CV THERAPEUTICS, INC. 2001-07-19 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-20010008883-A1 Method of identifying partial adenosine A1 receptor agonists and their use in the treatment of arrhythmias ADORA1, ADORA3, ADORA2A ADORA1 1/4885ADORA3 2/4885ADORA2A 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.