SCHEMBL6499300

SCHEMBL6499300

COc1ccccc1Oc1cccc(CN2CCC(NC(=O)COc3ccccc3)C2)c1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 8/20 0.75
POLB P06746 1/20 0.62
KCNH2 Q12809 1/20 0.59
SIGMAR1 Q99720 4/20 0.57
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
MCHR1 Q99705 2/20 0.54
ADIPOR2 Q86V24 1/20 0.54
ADIPOR1 Q96A54 1/20 0.54
USP2 O75604 1/20 0.54
CCR3 P51677 1/20 0.52

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
SCHEMBL6499292 1.00 CCR8 (0.75) CCR8POLBKCNH2SIGMAR1DRD2
SCHEMBL6498379 0.92 CCR8 (0.89) CCR8KCNH2SIGMAR1DRD2DRD4
SCHEMBL6498389 0.92 CCR8 (0.89) CCR8KCNH2SIGMAR1DRD2DRD4
SCHEMBL6497209 0.89 CCR8 (0.75) CCR8KCNH2SIGMAR1DRD2DRD4
SCHEMBL6501479 0.89 CCR8 (0.75) CCR8KCNH2SIGMAR1DRD2DRD4
SCHEMBL6497203 0.89 CCR8 (0.75) CCR8KCNH2SIGMAR1DRD2DRD4
SCHEMBL6505229 0.89 CCR8 (0.81) CCR8KCNH2SIGMAR1DRD2DRD4
SCHEMBL6498301 0.89 CCR8 (0.81) CCR8KCNH2SIGMAR1DRD2DRD4
SCHEMBL6498309 0.89 CCR8 (0.81) CCR8KCNH2SIGMAR1DRD2DRD4
SCHEMBL6503375 0.87 CCR8 (0.78) CCR8KCNH2SIGMAR1DRD2DRD4

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 1/4885POLB 3458/4885KCNH2 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.