SCHEMBL6507204

SCHEMBL6507204

COc1ccccc1Oc1cccc(CN2CCC(N3C(=O)OCC3C)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 10/20 0.57
OPRM1 P35372 1/20 0.49
KCNH2 Q12809 3/20 0.49
HTR7 P34969 1/20 0.47
MGLL Q99685 1/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6497660 0.89 CCR8 (0.56) CCR8OPRM1KCNH2MGLLHCRTR1
SCHEMBL6497855 0.89 CCR8 (0.56) CCR8OPRM1KCNH2MGLLHCRTR1
SCHEMBL6500890 0.89 CCR8 (0.56) CCR8OPRM1KCNH2MGLLHCRTR1
SCHEMBL7068882 0.89 CCR8 (0.56) CCR8OPRM1KCNH2MGLLHCRTR1
SCHEMBL6507039 0.83 CCR8 (0.56) CCR8OPRM1KCNH2HTR7MGLL
SCHEMBL6504157 0.78 CCR8 (0.66) CCR8KCNH2HTR7MGLLMEN1
SCHEMBL6496580 0.78 CCR8 (0.56) CCR8OPRM1KCNH2MGLLHCRTR1
SCHEMBL6500447 0.78 CCR8 (0.47) CCR8MGLLCHRM2CHRM3
SCHEMBL6508530 0.78 CCR8 (0.47) CCR8MGLLCHRM2CHRM3
SCHEMBL7158747 0.77 CCR8 (0.53) CCR8OPRM1

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 2 patents. 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
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 WO 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 1/4885OPRM1 494/4885KCNH2 4349/4885

“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.