SCHEMBL3017909

SCHEMBL3017909

CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NC4CCOCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 17/20 0.52
ADORA1 P30542 12/20 0.51
ADORA2A P29274 9/20 0.51
ADORA2B P29275 4/20 0.51

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
SCHEMBL3026443 0.92 ADORA3 (0.57) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL10156671 0.91 ADORA3 (0.54) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL10156688 0.89 ADORA3 (0.50) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL3016041 0.88 ADORA2A (0.52) ADORA3ADORA1ADORA2A
SCHEMBL3026662 0.87 ADORA1 (0.54) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL10156680 0.86 ADORA3 (0.48) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL10158773 0.86 ADORA3 (0.56) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL12196646 0.86 ADORA3 (0.55) ADORA3ADORA1ADORA2A
SCHEMBL10156160 0.86 ADORA3 (0.55) ADORA3ADORA1ADORA2A
SCHEMBL10194326 0.86 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2B

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-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands NOVARTIS AG (CH) 2010-08-05 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-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA1 2/4885ADORA2A 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.