SCHEMBL6504157

SCHEMBL6504157

COc1ccccc1Oc1cccc(CN2CCC(N)CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 11/20 0.66
KCNH2 Q12809 4/20 0.55
SIGMAR1 Q99720 1/20 0.54
HTR7 P34969 1/20 0.54
MGLL Q99685 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL6498562 0.93 CCR8 (0.60) CCR8KCNH2SIGMAR1HTR7MGLL
SCHEMBL6496921 0.93 CCR8 (0.60) CCR8KCNH2SIGMAR1HTR7MGLL
SCHEMBL6505189 0.89 CCR8 (0.56) CCR8KCNH2SIGMAR1HTR7MEN1
SCHEMBL6506424 0.88 CCR8 (0.63) CCR8KCNH2SIGMAR1HTR7MGLL
SCHEMBL1845087 0.86 CCR8 (0.62) CCR8KCNH2SIGMAR1MGLLMEN1
SCHEMBL6943757 0.86 SIGMAR1 (0.68) SIGMAR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6505051 0.85 CCR8 (0.54) CCR8SIGMAR1MGLLKDM4EALDH1A1
SCHEMBL6501384 0.84 ALDH1A1 (0.66) CCR8SIGMAR1KDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL11535920 0.84 SIGMAR1 (0.67) SIGMAR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6505462 0.84 CCR8 (0.70) CCR8KCNH2SIGMAR1HTR7MEN1

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 1/4885KCNH2 4349/4885SIGMAR1 525/4885

“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.