SCHEMBL6503867

SCHEMBL6503867

CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 1.00
ADORA2B P29275 20/20 1.00
ADORA1 P30542 1/20 0.68

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
SCHEMBL6506951 0.93 ADORA2B (1.00) ADORA2AADORA2BADORA1
SCHEMBL24227597 0.92 ADORA2B (1.00) ADORA2AADORA2BADORA1
SCHEMBL6506235 0.88 ADORA2B (1.00) ADORA2AADORA2BADORA1
SCHEMBL6504021 0.87 ADORA2B (1.00) ADORA2AADORA2BADORA1
SCHEMBL6505307 0.85 ADORA2B (0.89) ADORA2AADORA2BADORA1
SCHEMBL6510258 0.85 ADORA2A (0.82) ADORA2AADORA2BADORA1
SCHEMBL6504458 0.84 ADORA2B (0.76) ADORA2AADORA2B
SCHEMBL6511660 0.84 ADORA2B (0.80) ADORA2AADORA2BADORA1
SCHEMBL6530252 0.83 ADORA2B (1.00) ADORA2AADORA2BADORA1
SCHEMBL6509454 0.83 ADORA2B (0.89) ADORA2AADORA2BADORA1

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-20050070558-A1 6-Phenyldihydropyrrolopyrimidinedione derivatives ALMIRALL PRODESFARMA S.A. (ES) 2005-03-31 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-20050070558-A1 6-Phenyldihydropyrrolopyrimidinedione derivatives ADORA1, ADORA2A, P2RY10 ADORA2A 2/4885ADORA2B 4/4885ADORA1 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.