SCHEMBL6497660

SCHEMBL6497660

COc1ccccc1Oc1cccc(CN2CCC(N3C(=O)OC[C@@H]3Cc3ccccc3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 10/20 0.56
KCNH2 Q12809 1/20 0.48
OPRM1 P35372 1/20 0.47
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
DRD2 P14416 1/20 0.45
DRD4 P21917 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
SCHEMBL7068882 1.00 CCR8 (0.56) CCR8KCNH2OPRM1MGLLHCRTR1
SCHEMBL7158747 0.90 CCR8 (0.53) CCR8OPRM1
SCHEMBL6499719 0.90 CCR8 (0.53) CCR8OPRM1
SCHEMBL6507204 0.89 CCR8 (0.57) CCR8KCNH2OPRM1MGLLHCRTR1
SCHEMBL6497855 0.88 CCR8 (0.56) CCR8KCNH2OPRM1MGLLHCRTR1
SCHEMBL6500890 0.88 CCR8 (0.56) CCR8KCNH2OPRM1MGLLHCRTR1
SCHEMBL6507039 0.80 CCR8 (0.56) CCR8KCNH2OPRM1MGLLHCRTR1
SCHEMBL6500447 0.77 CCR8 (0.47) CCR8MGLLCHRM2CHRM3
SCHEMBL6496580 0.77 CCR8 (0.56) CCR8KCNH2OPRM1MGLLHCRTR1
SCHEMBL6508530 0.77 CCR8 (0.47) CCR8MGLLCHRM2CHRM3

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 4349/4885OPRM1 494/4885

“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.