SCHEMBL6500418

SCHEMBL6500418

COc1ccccc1Oc1cccc(CN2CCC(NC(Cc3ccccc3)C(=O)OC)CC2)c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 16/20 0.69
KCNH2 Q12809 5/20 0.61
MGLL Q99685 1/20 0.53
SIGMAR1 Q99720 1/20 0.52
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL6500412 1.00 CCR8 (0.69) CCR8KCNH2MGLLSIGMAR1CYP3A4
SCHEMBL6506449 0.94 CCR8 (0.66) CCR8KCNH2SIGMAR1
SCHEMBL6499680 0.85 CCR8 (0.66) CCR8KCNH2MGLLSIGMAR1MEN1
SCHEMBL6497669 0.82 CCR8 (1.00) CCR8KCNH2SIGMAR1
SCHEMBL6506635 0.81 CCR8 (0.60) CCR8KCNH2MGLLSIGMAR1MEN1
SCHEMBL6506628 0.81 CCR8 (0.60) CCR8KCNH2MGLLSIGMAR1MEN1
SCHEMBL6500064 0.81 CCR8 (0.65) CCR8KCNH2MGLLSIGMAR1MEN1
SCHEMBL6504248 0.81 CCR8 (0.76) CCR8KCNH2SIGMAR1
SCHEMBL6506014 0.80 CCR8 (0.72) CCR8KCNH2MGLLSIGMAR1MEN1
SCHEMBL6498364 0.80 CCR8 (0.69) CCR8KCNH2MGLLSIGMAR1MEN1

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 4349/4885MGLL 997/4885

“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.