SCHEMBL6507039

SCHEMBL6507039

COc1ccccc1Oc1cccc(CN2CCC(N3C(=O)OC(c4ccccc4)C3C)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 8/20 0.56
KCNH2 Q12809 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
OPRM1 P35372 1/20 0.47
HTR7 P34969 1/20 0.46
MGLL Q99685 1/20 0.46
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL6501376 0.91 CCR8 (0.52) CCR8
SCHEMBL6497855 0.84 CCR8 (0.56) CCR8KCNH2DRD2DRD4OPRM1
SCHEMBL6500890 0.84 CCR8 (0.56) CCR8KCNH2DRD2DRD4OPRM1
SCHEMBL6507204 0.83 CCR8 (0.57) CCR8KCNH2OPRM1HTR7MGLL
SCHEMBL6496580 0.82 CCR8 (0.56) CCR8KCNH2OPRM1MGLLHCRTR1
SCHEMBL6497660 0.80 CCR8 (0.56) CCR8KCNH2DRD2DRD4OPRM1
SCHEMBL7068882 0.80 CCR8 (0.56) CCR8KCNH2DRD2DRD4OPRM1
SCHEMBL6505663 0.76 CCR8 (0.59) CCR8KCNH2OPRM1MGLLCHRM2
SCHEMBL6504157 0.75 CCR8 (0.66) CCR8KCNH2HTR7MGLLMEN1
SCHEMBL7066463 0.75 CYP3A4 (0.62) CCR8KCNH2DRD2DRD4OPRM1

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 4349/4885DRD2 3014/4885

“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.