SCHEMBL6509063

SCHEMBL6509063

COc1cccc(CC(=O)NCC2CCN(Cc3cccc(Oc4ccccc4OC)c3)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 10/20 0.70
SIGMAR1 Q99720 4/20 0.61
FAAH O00519 1/20 0.56
ACHE P22303 1/20 0.56
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KCNH2 Q12809 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
ACKR3 P25106 1/20 0.50

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
SCHEMBL6498197 0.95 CCR8 (0.78) CCR8SIGMAR1FAAHACHEDRD2
SCHEMBL6496782 0.92 CCR8 (0.70) CCR8SIGMAR1FAAHACHEDRD2
SCHEMBL6498431 0.91 CCR8 (0.69) CCR8SIGMAR1FAAHACHEDRD2
SCHEMBL6507104 0.89 CCR8 (0.63) CCR8SIGMAR1FAAHACHEDRD2
SCHEMBL6505880 0.88 CCR8 (0.67) CCR8FAAHACHEDRD2DRD4
SCHEMBL6505860 0.88 CCR8 (0.62) CCR8SIGMAR1FAAHACHEDRD2
SCHEMBL6499000 0.86 CCR8 (0.61) CCR8FAAHACHEDRD2DRD4
SCHEMBL6497120 0.85 CCR8 (0.62) CCR8SIGMAR1FAAHACHEDRD2
SCHEMBL6505229 0.84 CCR8 (0.81) CCR8SIGMAR1DRD2DRD4KCNH2
SCHEMBL6498301 0.84 CCR8 (0.81) CCR8SIGMAR1DRD2DRD4KCNH2

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 1/4885SIGMAR1 525/4885FAAH 664/4885

“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.