SCHEMBL6505201

SCHEMBL6505201

COc1ccccc1Oc1cccc(CN2CCN(C(=O)C3(c4ccccc4F)CCCC3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 12/20 0.59
MGLL Q99685 1/20 0.56
KCNH2 Q12809 5/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
FAAH O00519 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6506540 0.89 CCR8 (0.63) CCR8MGLLKCNH2MEN1KMT2A
SCHEMBL6504136 0.88 CCR8 (0.63) CCR8MGLLKCNH2MEN1KMT2A
SCHEMBL6496107 0.86 CCR8 (0.63) CCR8MGLLKCNH2MEN1KMT2A
SCHEMBL6499151 0.85 CCR8 (0.74) CCR8MGLLKCNH2MEN1KMT2A
SCHEMBL6505097 0.84 CCR8 (0.65) CCR8MGLLKCNH2MEN1KMT2A
SCHEMBL6497721 0.82 CCR8 (0.61) CCR8MGLLKCNH2MEN1KMT2A
SCHEMBL6500255 0.81 CCR8 (0.69) CCR8MGLLKCNH2MEN1KMT2A
SCHEMBL6505553 0.78 CCR8 (0.70) CCR8MGLLKCNH2MEN1KMT2A
SCHEMBL6498564 0.78 MGLL (0.60) CCR8MGLLKCNH2MEN1KMT2A
SCHEMBL6499343 0.78 CCR8 (0.61) CCR8MGLLKCNH2MEN1KMT2A

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 1/4885MGLL 997/4885KCNH2 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.