SCHEMBL6506424

SCHEMBL6506424

COc1ccccc1Oc1cccc(CN2CCC(CN)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 10/20 0.63
KCNH2 Q12809 3/20 0.53
SIGMAR1 Q99720 1/20 0.52
HTR7 P34969 1/20 0.52
MGLL Q99685 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49

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
SCHEMBL6504157 0.88 CCR8 (0.66) CCR8KCNH2SIGMAR1HTR7MGLL
SCHEMBL1845087 0.84 CCR8 (0.62) CCR8KCNH2SIGMAR1MGLLMEN1
SCHEMBL6498562 0.84 CCR8 (0.60) CCR8KCNH2SIGMAR1HTR7MGLL
SCHEMBL6496921 0.84 CCR8 (0.60) CCR8KCNH2SIGMAR1HTR7MGLL
SCHEMBL6505462 0.82 CCR8 (0.70) CCR8KCNH2SIGMAR1HTR7MEN1
SCHEMBL3135777 0.82 CCR8 (0.61) CCR8KCNH2SIGMAR1MGLLMEN1
SCHEMBL6498878 0.81 CCR8 (0.59) CCR8KCNH2SIGMAR1MGLLMEN1
SCHEMBL6508223 0.80 CCR8 (0.62) CCR8KCNH2MGLLMEN1KMT2A
SCHEMBL6498197 0.80 CCR8 (0.78) CCR8KCNH2SIGMAR1MGLLMEN1
SCHEMBL6509063 0.79 CCR8 (0.70) CCR8KCNH2SIGMAR1MEN1KMT2A

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.