SCHEMBL14829675

SCHEMBL14829675

OC1C(COc2ccccc2F)OC(n2cnc3c(NC4CCOC4)ncnc32)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 18/20 0.74
ADORA3 P0DMS8 4/20 0.74
ADORA2A P29274 3/20 0.74
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
SCHEMBL13384982 1.00 ADORA1 (0.74) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL472511 1.00 ADORA1 (0.74) ADORA1ADORA3ADORA2AADORA2BSLC28A1
Acetone SCHEMBL472504 0.96 ADORA1 (0.71) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL472664 0.91 ADORA1 (0.72) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL472547 0.91 ADORA1 (0.70) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL472548 0.91 ADORA1 (0.72) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL472667 0.91 ADORA1 (0.72) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL472608 0.90 ADORA3 (0.73) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL472605 0.89 ADORA1 (0.75) ADORA1ADORA3ADORA2AADORA2BSLC28A1
SCHEMBL472561 0.89 ADORA3 (0.65) ADORA1ADORA3ADORA2AADORA2BSLC29A1

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
WO-2013049725-A2 METHODS OF USING ADENOSINE A1 RECEPTOR ACTIVATION FOR TREATING DEPRESSION TUFTS UNIVERSITY (US) 2013-04-04 WO claimed
US-20140241990-A1 METHODS OF USING ADENOSINE A1 RECEPTOR ACTIVATION FOR TREATING DEPRESSION TUFTS UNIVERSITY (US) 2014-08-28 US disclosed
WO-2013049725-A2 METHODS OF USING ADENOSINE A1 RECEPTOR ACTIVATION FOR TREATING DEPRESSION TUFTS UNIVERSITY (US) 2013-04-04 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-20140241990-A1 METHODS OF USING ADENOSINE A1 RECEPTOR ACTIVATION FOR TREATING DEPRESSION ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA3 3/4885ADORA2A 1/4885

“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.