SCHEMBL6499566

SCHEMBL6499566

O=C(NC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)C(CCO)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 6/20 0.68
SIGMAR1 Q99720 1/20 0.52
CCR3 P51677 1/20 0.52
PRKAA2 P54646 1/20 0.51
KMT2A Q03164 1/20 0.49
FAAH O00519 1/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL6506756 0.90 CCR8 (0.83) CCR8SIGMAR1
SCHEMBL6499972 0.87 CCR8 (0.73) CCR8SIGMAR1CCR3PRKAA2KMT2A
SCHEMBL6498385 0.82 CCR8 (0.82) CCR8SIGMAR1
SCHEMBL6501125 0.81 CCR8 (1.00) CCR8SIGMAR1
SCHEMBL6496183 0.81 CCR8 (0.80) CCR8SIGMAR1
SCHEMBL6499380 0.80 CCR8 (1.00) CCR8SIGMAR1CCR3
SCHEMBL6499968 0.80 CCR8 (0.78) CCR8SIGMAR1
SCHEMBL6507394 0.79 CCR8 (0.78) CCR8SIGMAR1CCR3PRKAA2KMT2A
SCHEMBL6500103 0.79 CCR8 (1.00) CCR8SIGMAR1POLBKDM4EALDH1A1
SCHEMBL6507695 0.79 CCR8 (0.75) 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 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 1/4885SIGMAR1 525/4885CCR3 18/4885

“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.