SCHEMBL6496782

SCHEMBL6496782

COc1ccccc1Oc1cccc(CN2CCC(CNC(=O)Cc3ccc(F)cc3)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 8/20 0.70
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
KCNH2 Q12809 1/20 0.53
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
HTR4 Q13639 1/20 0.52
FAAH O00519 1/20 0.52
ACHE P22303 1/20 0.52
SIGMAR1 Q99720 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CCR3 P51677 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) CCR8MEN1KMT2AKCNH2DRD2
SCHEMBL6498431 0.92 CCR8 (0.69) CCR8MEN1KMT2AKCNH2DRD2
SCHEMBL6509063 0.92 CCR8 (0.70) CCR8MEN1KMT2AKCNH2DRD2
SCHEMBL6499262 0.89 CCR8 (0.61) CCR8MEN1KMT2AKCNH2DRD2
SCHEMBL6508151 0.88 CCR8 (0.89) CCR8KCNH2SIGMAR1CCR3
SCHEMBL6507104 0.86 CCR8 (0.63) CCR8MEN1KMT2AKCNH2DRD2
SCHEMBL6505880 0.86 CCR8 (0.67) CCR8KCNH2DRD2DRD4FAAH
SCHEMBL6505860 0.85 CCR8 (0.62) CCR8MEN1KMT2AKCNH2DRD2
SCHEMBL6506414 0.85 CCR8 (0.80) CCR8KCNH2SIGMAR1CCR3
SCHEMBL6506421 0.85 CCR8 (0.80) CCR8KCNH2SIGMAR1CCR3

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 1/4885MEN1 3088/4885KMT2A 4477/4885

“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.