SCHEMBL6500103

SCHEMBL6500103

CCC(=O)NC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 5/20 1.00
SIGMAR1 Q99720 6/20 0.68
POLB P06746 1/20 0.61
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL6499380 0.91 CCR8 (1.00) CCR8SIGMAR1
SCHEMBL6509291 0.88 CCR8 (0.82) CCR8SIGMAR1POLB
SCHEMBL6498271 0.88 CCR8 (0.82) CCR8SIGMAR1POLB
SCHEMBL6506066 0.86 CCR8 (0.79) CCR8SIGMAR1
SCHEMBL7268908 0.86 SIGMAR1 (0.79) CCR8SIGMAR1POLB
SCHEMBL6507394 0.85 CCR8 (0.78) CCR8SIGMAR1
SCHEMBL6504896 0.85 CCR8 (0.88) CCR8SIGMAR1
SCHEMBL6500525 0.85 CCR8 (0.88) CCR8SIGMAR1
Hydrochloric Acid SCHEMBL29640479 0.84 SIGMAR1 (0.77) CCR8SIGMAR1POLB
SCHEMBL6505596 0.84 CCR8 (0.79) CCR8SIGMAR1

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 525/4885POLB 3458/4885

“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.