SCHEMBL6500447

SCHEMBL6500447

O=C1OC[C@@H](c2ccccc2)N1C1CCN(Cc2cccc(Oc3ccccc3Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 9/20 0.47
FAAH O00519 1/20 0.46
CCR5 P51681 2/20 0.45
MGLL Q99685 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6508530 1.00 CCR8 (0.47) CCR8FAAHCCR5MGLLCHRM2
SCHEMBL6497522 0.90 CCR5 (0.52) CCR8CCR5KDM4EALDH1A1HPGD
SCHEMBL6500890 0.89 CCR8 (0.56) CCR8MGLLCHRM2CHRM3
SCHEMBL6497855 0.89 CCR8 (0.56) CCR8MGLLCHRM2CHRM3
SCHEMBL6508493 0.80 CCR8 (0.49) CCR8FAAHCCR5MGLLCHRM2
SCHEMBL6507204 0.78 CCR8 (0.57) CCR8MGLLCHRM2CHRM3
SCHEMBL6497660 0.77 CCR8 (0.56) CCR8MGLLCHRM2CHRM3
SCHEMBL7068882 0.77 CCR8 (0.56) CCR8MGLLCHRM2CHRM3
SCHEMBL7158747 0.76 CCR8 (0.53) CCR8KDM4EALDH1A1HPGDHTT
SCHEMBL6499719 0.76 CCR8 (0.53) CCR8KDM4EALDH1A1HPGDHTT

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 1/4885FAAH 664/4885CCR5 3/4885

“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.