SCHEMBL13248162

SCHEMBL13248162

CCCCCn1c(=O)n(CCOC(=O)NCCc2cccc(C)c2)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.44
▸ ADORA1 P30542 6/20 0.42
▸ ADORA2A P29274 4/20 0.42
▸ ADORA2B P29275 4/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.39
▸ CES2 O00748 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL13248165 0.92 ADORA1 (0.43) MAPTADORA1ADORA2AADORA2BADORA3
SCHEMBL13248163 0.91 ADORA1 (0.45) ADORA1ADORA2AADORA2BADORA3
SCHEMBL13248164 0.90 TP53 (0.46) ADORA1ADORA2AADORA2BADORA3TP53
SCHEMBL13247646 0.90 ADORA1 (0.44) MAPTADORA1ADORA2AADORA2BADORA3
SCHEMBL3117044 0.89 ADORA2A (0.46) MAPTADORA1ADORA2AADORA2BADORA3
SCHEMBL4841188 0.89 ADORA1 (0.43) MAPTADORA1ADORA2AADORA2BADORA3
SCHEMBL13248178 0.88 ADORA2A (0.46) ADORA1ADORA2AADORA2BADORA3
SCHEMBL3104015 0.85 MAPT (0.49) MAPTADORA1ADORA2AADORA2BRXFP1
SCHEMBL13247663 0.85 ADORA1 (0.45) ADORA1ADORA2AADORA2BADORA3
SCHEMBL3123551 0.85 THRB (0.47) MAPTADORA1ADORA2AADORA2BRXFP1

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 2 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

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 MAPT 4059/4885ADORA1 32/4885ADORA2A 17/4885

“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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