SCHEMBL13337751

SCHEMBL13337751

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=O)NC4CCCCC4)ncnc32)C2OC3(CCCCC3)OC21

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.59
ADORA2A P29274 2/20 0.59
ADORA3 P0DMS8 5/20 0.56
ADORA1 P30542 5/20 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
SCHEMBL13309363 1.00 ADORA2B (0.59) ADORA2BADORA2AADORA3ADORA1
SCHEMBL13309362 0.92 ADORA2B (0.49) ADORA2BADORA2AADORA3ADORA1
SCHEMBL13337752 0.92 ADORA2B (0.49) ADORA2BADORA2AADORA3ADORA1
SCHEMBL13309344 0.91 ADORA2A (0.72) ADORA2BADORA2AADORA3ADORA1
SCHEMBL13337623 0.91 ADORA2A (0.72) ADORA2BADORA2AADORA3ADORA1
SCHEMBL13337625 0.91 ADORA2B (0.56) ADORA2BADORA2AADORA3ADORA1
SCHEMBL13309377 0.91 ADORA2B (0.56) ADORA2BADORA2AADORA3ADORA1
SCHEMBL13309392 0.90 P2RY12 (0.49) ADORA2BADORA2AADORA3ADORA1
SCHEMBL13337452 0.89 ADORA2A (0.56) ADORA2BADORA2AADORA3ADORA1
SCHEMBL13309393 0.89 ADORA2A (0.56) ADORA2BADORA2AADORA3ADORA1

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-20100160250-A1 METHOD FOR TREATING INFLAMMATORY CONDITIONS INSPIRE PHARMACEUTICALS, INC. 2010-06-24 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-20100160250-A1 METHOD FOR TREATING INFLAMMATORY CONDITIONS P2RX1, P2RX7, P2RX2 ADORA2B 42/4885ADORA2A 28/4885ADORA3 32/4885

“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.