SCHEMBL6498309

SCHEMBL6498309

COc1cccc(CC(=O)NC2CCN(Cc3cccc(Oc4ccccc4OC)c3)C2)c1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 8/20 0.81
SIGMAR1 Q99720 6/20 0.70
KCNH2 Q12809 1/20 0.58
MCHR1 Q99705 2/20 0.58
CCR2 P41597 1/20 0.57
CCR3 P51677 1/20 0.56
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
HTR2A P28223 1/20 0.56

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
SCHEMBL6505229 1.00 CCR8 (0.81) CCR8SIGMAR1KCNH2MCHR1CCR2
SCHEMBL6498301 1.00 CCR8 (0.81) CCR8SIGMAR1KCNH2MCHR1CCR2
SCHEMBL6498389 0.95 CCR8 (0.89) CCR8SIGMAR1KCNH2MCHR1CCR3
SCHEMBL6498379 0.95 CCR8 (0.89) CCR8SIGMAR1KCNH2MCHR1CCR3
SCHEMBL6503375 0.94 CCR8 (0.78) CCR8SIGMAR1KCNH2MCHR1CCR3
SCHEMBL6500146 0.94 CCR8 (0.78) CCR8SIGMAR1KCNH2MCHR1CCR3
SCHEMBL6507014 0.94 CCR8 (0.78) CCR8SIGMAR1KCNH2MCHR1CCR3
SCHEMBL6506414 0.92 CCR8 (0.80) CCR8SIGMAR1KCNH2CCR3
SCHEMBL6506421 0.92 CCR8 (0.80) CCR8SIGMAR1KCNH2CCR3
SCHEMBL6503671 0.92 CCR8 (0.80) CCR8SIGMAR1KCNH2CCR3

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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 CCR8 1/4885SIGMAR1 525/4885KCNH2 4349/4885

“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.