SCHEMBL3112308

SCHEMBL3112308

CCCCn1c(=O)n(CCCC(=O)NC)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 10/20 0.47
▸ ADORA2B P29275 3/20 0.45
▸ ADORA3 P0DMS8 2/20 0.45
▸ ADORA2A P29274 2/20 0.45
▸ SIRT1 Q96EB6 1/20 0.43
▸ SIRT3 Q9NTG7 1/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.43

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
SCHEMBL3112494 0.97 ADORA1 (0.47) ADORA1ADORA2BADORA3ADORA2ASIRT1
SCHEMBL3114744 0.87 ADORA2B (0.48) ADORA1ADORA2BADORA3ADORA2ASIRT1
SCHEMBL7031457 0.87 SIRT1 (0.55) ADORA1ADORA2BADORA3ADORA2ASIRT1
SCHEMBL3115564 0.86 ADORA1 (0.48) ADORA1ADORA2BADORA3ADORA2A
SCHEMBL3119443 0.85 SIRT1 (0.54) ADORA1ADORA2BADORA3ADORA2ASIRT1
SCHEMBL13247926 0.84 ADORA2B (0.53) ADORA1ADORA2BADORA3ADORA2ASIRT1
SCHEMBL13247927 0.84 ADORA2B (0.53) ADORA1ADORA2BADORA3ADORA2ASIRT1
SCHEMBL3114117 0.84 ADORA2A (0.47) ADORA1ADORA2BADORA3ADORA2ASIRT1
SCHEMBL3123746 0.84 ADORA2B (0.52) ADORA1ADORA2BADORA3ADORA2ASIRT1
SCHEMBL837990 0.84 ADORA2B (0.52) ADORA1ADORA2BADORA3ADORA2ASIRT1

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
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 — — US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 — — US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 — — 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-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 ADORA1 32/4885ADORA2B 111/4885ADORA3 61/4885

“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.

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