SCHEMBL6505663

SCHEMBL6505663

COc1ccccc1Oc1cccc(CN2CCC(N3CCN(c4ccccc4)C3=O)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 8/20 0.59
F10 P00742 6/20 0.56
F2 P00734 5/20 0.56
CHRM2 P08172 1/20 0.52
CHRM3 P20309 1/20 0.52
KCNH2 Q12809 1/20 0.51
PRSS1 P07477 3/20 0.50
OPRM1 P35372 1/20 0.49
MGLL Q99685 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HPN P05981 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
HGFAC Q04756 1/20 0.47
ST14 Q9Y5Y6 1/20 0.47

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
SCHEMBL11462462 0.80 CHRM3 (0.61) F10F2CHRM2CHRM3PRSS1
SCHEMBL11236082 0.80 F10 (0.69) F10F2CHRM2CHRM3PRSS1
SCHEMBL6496580 0.80 CCR8 (0.56) CCR8CHRM2CHRM3KCNH2OPRM1
SCHEMBL6504157 0.78 CCR8 (0.66) CCR8KCNH2MGLLMEN1KMT2A
SCHEMBL7066463 0.77 CYP3A4 (0.62) CCR8KCNH2OPRM1
SCHEMBL6507204 0.77 CCR8 (0.57) CCR8CHRM2CHRM3KCNH2OPRM1
SCHEMBL7068037 0.77 CCR8 (0.57) CCR8CHRM2CHRM3KCNH2OPRM1
SCHEMBL1845087 0.76 CCR8 (0.62) CCR8KCNH2MGLLMEN1KMT2A
SCHEMBL7068005 0.76 OPRM1 (0.84) CCR8KCNH2OPRM1
SCHEMBL6506424 0.76 CCR8 (0.63) CCR8KCNH2MGLLMEN1KMT2A

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 1/4885F10 2774/4885F2 1648/4885

“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.