SCHEMBL6498478

SCHEMBL6498478

COc1ccccc1Oc1cccc(CN2CCC(NC(=O)CCc3ccccc3)CC2)c1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 8/20 0.84
KCNH2 Q12809 1/20 0.65
SIGMAR1 Q99720 7/20 0.64
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
SLC6A12 P48065 1/20 0.55
DRD4 P21917 1/20 0.55

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
SCHEMBL6497209 0.94 CCR8 (0.75) CCR8KCNH2SIGMAR1DRD4
SCHEMBL6497203 0.94 CCR8 (0.75) CCR8KCNH2SIGMAR1DRD4
SCHEMBL6501479 0.94 CCR8 (0.75) CCR8KCNH2SIGMAR1DRD4
SCHEMBL6497669 0.91 CCR8 (1.00) CCR8KCNH2SIGMAR1
SCHEMBL6498271 0.89 CCR8 (0.82) CCR8SIGMAR1MAOAMAOB
SCHEMBL6505880 0.87 CCR8 (0.67) CCR8KCNH2MAOBDRD4
SCHEMBL6508151 0.86 CCR8 (0.89) CCR8KCNH2SIGMAR1
SCHEMBL6498389 0.86 CCR8 (0.89) CCR8KCNH2SIGMAR1DRD4
SCHEMBL6498379 0.86 CCR8 (0.89) CCR8KCNH2SIGMAR1DRD4
SCHEMBL6500503 0.85 CCR8 (0.81) CCR8KCNH2SIGMAR1DRD4

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 1/4885KCNH2 4349/4885SIGMAR1 525/4885

“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.