SCHEMBL6500491

SCHEMBL6500491

COc1ccccc1Oc1cccc(CN2CC[C@H](NC(=O)C(C)(C)c3ccc(C)cc3)C2)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 9/20 0.62
KCNH2 Q12809 1/20 0.53
DRD4 P21917 4/20 0.50
DRD2 P14416 2/20 0.50
CHRM2 P08172 2/20 0.50
CHRM1 P11229 2/20 0.50
CHRM3 P20309 2/20 0.50
HTR2A P28223 1/20 0.49
CCR2 P41597 1/20 0.48
MCHR1 Q99705 3/20 0.48
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL6496621 0.87 CCR8 (0.68) CCR8KCNH2DRD4CHRM2CHRM1
SCHEMBL6504495 0.84 CCR8 (0.67) CCR8KCNH2DRD4DRD2HTR2A
SCHEMBL6500514 0.83 CCR8 (0.66) CCR8KCNH2DRD4CHRM2CHRM1
SCHEMBL6498379 0.82 CCR8 (0.89) CCR8KCNH2DRD4DRD2MCHR1
SCHEMBL6498389 0.82 CCR8 (0.89) CCR8KCNH2DRD4DRD2MCHR1
SCHEMBL6497252 0.82 CCR8 (0.75) CCR8KCNH2DRD4DRD2MCHR1
SCHEMBL6505229 0.82 CCR8 (0.81) CCR8KCNH2DRD4DRD2HTR2A
SCHEMBL6498301 0.82 CCR8 (0.81) CCR8KCNH2DRD4DRD2HTR2A
SCHEMBL6498309 0.82 CCR8 (0.81) CCR8KCNH2DRD4DRD2HTR2A
SCHEMBL6497246 0.82 CCR8 (0.75) CCR8KCNH2DRD4DRD2MCHR1

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 4349/4885DRD4 3663/4885

“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.