SCHEMBL6500514

SCHEMBL6500514

COc1ccccc1Oc1cccc(CN2CCC(NC(=O)C(C)(C)c3ccsc3)CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 11/20 0.66
KCNH2 Q12809 1/20 0.56
CHRM2 P08172 2/20 0.53
CHRM1 P11229 2/20 0.53
CHRM3 P20309 2/20 0.53
SIGMAR1 Q99720 4/20 0.50
DRD4 P21917 2/20 0.49
SLC6A12 P48065 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) CCR8KCNH2CHRM2CHRM1CHRM3
SCHEMBL6505550 0.85 CCR8 (0.81) CCR8KCNH2SIGMAR1DRD4
SCHEMBL6500491 0.83 CCR8 (0.62) CCR8KCNH2CHRM2CHRM1CHRM3
SCHEMBL6499624 0.80 CCR8 (0.63) CCR8KCNH2CHRM2CHRM1CHRM3
SCHEMBL6497669 0.80 CCR8 (1.00) CCR8KCNH2SIGMAR1
SCHEMBL6495936 0.79 CCR8 (0.62) CCR8KCNH2CHRM2CHRM1CHRM3
SCHEMBL6506014 0.78 CCR8 (0.72) CCR8KCNH2SIGMAR1DRD4
SCHEMBL6498478 0.77 CCR8 (0.84) CCR8KCNH2SIGMAR1DRD4SLC6A12
SCHEMBL6508151 0.77 CCR8 (0.89) CCR8KCNH2SIGMAR1
SCHEMBL6504248 0.77 CCR8 (0.76) CCR8KCNH2SIGMAR1DRD4SLC6A12

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 4349/4885CHRM2 1996/4885

“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.