SCHEMBL6406587

SCHEMBL6406587

CCN(O)C(=O)C(OC1CCCC1)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 4/20 0.56
▸ HSP90B1 P14625 2/20 0.53
▸ ADORA3 P0DMS8 3/20 0.51
▸ ADORA2B P29275 3/20 0.51
▸ ADORA2A P29274 2/20 0.51
▸ ADORA1 P30542 2/20 0.51
▸ TSHR P16473 3/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.51
▸ TMIGD3 P0DMS9 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ EHMT1 Q9H9B1 1/20 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
SCHEMBL10687080 0.86 ADORA3 (0.59) AHCYHSP90B1ADORA3ADORA2BADORA2A
SCHEMBL11421043 0.83 AHCY (0.62) AHCYHSP90B1ADORA3ADORA2BADORA2A
SCHEMBL5685760 0.82 AHCY (0.54) AHCYHSP90B1ADORA3ADORA2BADORA2A
SCHEMBL7924078 0.81 AHCY (0.53) AHCYHSP90B1ADORA3ADORA2BADORA2A
SCHEMBL1093486 0.80 EHMT1 (0.56) AHCYADORA3ADORA2BADORA2AADORA1
SCHEMBL6692383 0.80 AHCY (0.54) AHCYADORA3ADORA2BADORA2AADORA1
SCHEMBL5354507 0.78 ADORA3 (0.56) AHCYHSP90B1ADORA3ADORA2BADORA2A
SCHEMBL6697082 0.78 AHCY (0.52) AHCYADORA3ADORA2BADORA2AADORA1
SCHEMBL6695446 0.77 AHCY (0.53) AHCYHSP90B1ADORA3ADORA2BADORA2A
SCHEMBL5349884 0.77 HSP90B1 (0.57) AHCYHSP90B1ADORA3ADORA2BADORA2A

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-20050009776-A1 Method of treating atrial fibrillation or atrial flutter ADERIS PHARMACEUTICALS, INC. (US) 2005-01-13 — — 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-20050009776-A1 Method of treating atrial fibrillation or atrial flutter ADORA2A, HCN3, SCN9A AHCY 627/4885HSP90B1 3116/4885ADORA3 7/4885

“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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