SCHEMBL6499000

SCHEMBL6499000

COc1ccc(OC(=O)NCC2CCN(Cc3cccc(Oc4ccccc4OC)c3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 11/20 0.61
ACHE P22303 3/20 0.55
FAAH O00519 2/20 0.55
KCNH2 Q12809 2/20 0.55
DRD2 P14416 2/20 0.54
DRD4 P21917 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
BACE1 P56817 1/20 0.49
MGLL Q99685 1/20 0.49

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
SCHEMBL6509063 0.86 CCR8 (0.70) CCR8ACHEFAAHKCNH2DRD2
SCHEMBL6498197 0.85 CCR8 (0.78) CCR8ACHEFAAHKCNH2DRD2
SCHEMBL6507230 0.84 CCR8 (0.69) CCR8KCNH2DRD2DRD4
SCHEMBL6507237 0.84 CCR8 (0.69) CCR8KCNH2DRD2DRD4
SCHEMBL6505880 0.84 CCR8 (0.67) CCR8ACHEFAAHKCNH2DRD2
SCHEMBL6499262 0.83 CCR8 (0.61) CCR8KCNH2DRD2DRD4MEN1
SCHEMBL6497120 0.82 CCR8 (0.62) CCR8ACHEFAAHKCNH2DRD2
SCHEMBL6496782 0.82 CCR8 (0.70) CCR8ACHEFAAHKCNH2DRD2
SCHEMBL6498431 0.81 CCR8 (0.69) CCR8ACHEFAAHKCNH2DRD2
SCHEMBL6507104 0.81 CCR8 (0.63) CCR8ACHEFAAHKCNH2DRD2

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 1/4885ACHE 2660/4885FAAH 664/4885

“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.