SCHEMBL6505970

SCHEMBL6505970

COc1ccccc1Oc1cccc(CN2CCC(NC(=O)C3(c4ccccc4)CCN(C(=O)OC(C)(C)C)CC3)CC2)c1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 17/20 0.78
KCNH2 Q12809 3/20 0.75
SIGMAR1 Q99720 2/20 0.48

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
SCHEMBL6500715 0.96 CCR8 (0.73) CCR8KCNH2SIGMAR1
SCHEMBL6495934 0.92 CCR8 (0.80) CCR8KCNH2SIGMAR1
SCHEMBL15243740 0.86 CCR8 (1.00) CCR8KCNH2SIGMAR1
SCHEMBL6499354 0.85 CCR8 (0.69) CCR8KCNH2SIGMAR1
SCHEMBL6499853 0.84 CCR8 (0.68) CCR8KCNH2SIGMAR1
SCHEMBL6505985 0.83 CCR8 (0.83) CCR8KCNH2SIGMAR1
SCHEMBL2074176 0.82 CCR8 (0.69) CCR8KCNH2
SCHEMBL6506018 0.80 CCR8 (1.00) CCR8KCNH2SIGMAR1
SCHEMBL6501162 0.79 CCR8 (0.82) CCR8KCNH2SIGMAR1
SCHEMBL6496082 0.78 CCR8 (0.63) CCR8KCNH2SIGMAR1

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 1/4885KCNH2 4349/4885SIGMAR1 525/4885

“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.