SCHEMBL6497522

SCHEMBL6497522

O=C1OC[C@@H](c2ccccc2)N1C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
CCR8 P51685 4/20 0.51
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TRPV6 Q9H1D0 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
SCHEMBL6500890 0.90 CCR8 (0.56) CCR8
SCHEMBL6508530 0.90 CCR8 (0.47) CCR5KDM4EALDH1A1HPGDHTT
SCHEMBL6500447 0.90 CCR8 (0.47) CCR5KDM4EALDH1A1HPGDHTT
SCHEMBL6497855 0.90 CCR8 (0.56) CCR8
SCHEMBL6499719 0.86 CCR8 (0.53) KDM4EALDH1A1HPGDHTTCCR8
SCHEMBL7158747 0.86 CCR8 (0.53) KDM4EALDH1A1HPGDHTTCCR8
SCHEMBL6501376 0.81 CCR8 (0.52) KDM4EALDH1A1HPGDHTTCCR8
SCHEMBL5576729 0.79 CCR5 (0.54) CCR5CCR8
SCHEMBL5576723 0.79 CCR5 (0.54) CCR5CCR8
SCHEMBL6507204 0.77 CCR8 (0.57) CCR8

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 4 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-2005020985-A1 INDOLAMIDE DERIVATIVES WHICH POSSESS GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-03-10 WO disclosed
WO-2005020986-A1 HETEROCYCLIC AMIDE DERIVATIVES WHICH POSSES GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-03-10 WO 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 CCR5 3/4885KDM4E 4617/4885ALDH1A1 1071/4885

“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.