SCHEMBL6846153

SCHEMBL6846153

CCCn1c(=O)c2[nH]c(C3C4CC5C3C5(O)C4)nc2n(CCC)c1=O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.58
ADORA3 P0DMS8 3/20 0.56
ADORA2B P29275 6/20 0.55
ADORA2A P29274 6/20 0.55
MEN1 O00255 1/20 0.55
GMNN O75496 1/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
TSHR P16473 1/20 0.55
PMP22 Q01453 1/20 0.55
KMT2A Q03164 1/20 0.55
HIF1A Q16665 1/20 0.55

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
SCHEMBL3696129 0.77 ADORA1 (0.66) ADORA1ADORA3ADORA2BADORA2AMEN1
SCHEMBL4985489 0.77 ADORA1 (0.55) ADORA1ADORA3ADORA2BADORA2AMEN1
SCHEMBL5498164 0.76 ADORA1 (0.55) ADORA1ADORA3ADORA2BADORA2AMEN1
SCHEMBL4985196 0.75 ADORA1 (0.55) ADORA1ADORA3ADORA2BADORA2AMEN1
SCHEMBL4990200 0.74 ADORA1 (0.62) ADORA1ADORA3ADORA2BADORA2AMEN1
SCHEMBL4986845 0.74 ADORA1 (0.69) ADORA1ADORA3ADORA2BADORA2AMEN1
SCHEMBL3068195 0.74 ADORA2B (0.64) ADORA1ADORA3ADORA2BADORA2AMEN1
SCHEMBL787601 0.74 ADORA2B (0.64) ADORA1ADORA3ADORA2BADORA2AMEN1
SCHEMBL8874884 0.74 ADORA1 (0.76) ADORA1ADORA3ADORA2BADORA2AMEN1
SCHEMBL8836301 0.74 ADORA1 (0.76) ADORA1ADORA3ADORA2BADORA2AMEN1

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-20040259889-A1 Methods of treating pulmonary disease BIOGEN IDEC MA INC. 2004-12-23 US claimed
US-20040259889-A1 Methods of treating pulmonary disease BIOGEN IDEC MA INC. 2004-12-23 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-20040259889-A1 Methods of treating pulmonary disease ADORA1, ADORA2A, TBXA2R ADORA1 1/4885ADORA3 6/4885ADORA2B 5/4885

“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.