SCHEMBL6500308

SCHEMBL6500308

COc1ccc(CC(=O)NC2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1OC

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.81
CCR8 P51685 5/20 0.81
KCNH2 Q12809 1/20 0.61
MCHR1 Q99705 1/20 0.58

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
SCHEMBL6497669 0.89 CCR8 (1.00) SIGMAR1CCR8KCNH2
SCHEMBL6503375 0.89 CCR8 (0.78) SIGMAR1CCR8KCNH2MCHR1
SCHEMBL6507014 0.89 CCR8 (0.78) SIGMAR1CCR8KCNH2MCHR1
SCHEMBL6500146 0.89 CCR8 (0.78) SIGMAR1CCR8KCNH2MCHR1
SCHEMBL6499380 0.88 CCR8 (1.00) SIGMAR1CCR8
SCHEMBL6501369 0.88 CCR8 (0.86) SIGMAR1CCR8KCNH2
SCHEMBL6497839 0.86 CCR8 (0.86) SIGMAR1CCR8KCNH2
SCHEMBL6508151 0.86 CCR8 (0.89) SIGMAR1CCR8KCNH2
SCHEMBL6507974 0.85 CCR8 (0.75) SIGMAR1CCR8KCNH2
SCHEMBL6497533 0.85 CCR8 (0.81) SIGMAR1CCR8

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 SIGMAR1 525/4885CCR8 1/4885KCNH2 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.