SCHEMBL6503779

SCHEMBL6503779

COc1ccccc1Oc1cccc(CN2CCC3(CC2)CC(=O)N(Cc2ccccc2)C3)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 15/20 0.60
KCNH2 Q12809 7/20 0.60
ADRA1B P35368 1/20 0.51
SIGMAR1 Q99720 1/20 0.49
MGLL Q99685 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL6506121 0.89 CCR8 (0.57) CCR8KCNH2ADRA1BSIGMAR1
SCHEMBL5225972 0.80 CCR8 (0.75) CCR8KCNH2MGLLMEN1KMT2A
SCHEMBL6495962 0.80 CCR8 (0.58) CCR8KCNH2ADRA1BSIGMAR1MGLL
SCHEMBL12781276 0.79 CCR8 (0.64) CCR8KCNH2SIGMAR1MGLLMEN1
Hydrochloric Acid SCHEMBL2077057 0.78 CCR8 (0.63) CCR8KCNH2SIGMAR1MGLLMEN1
SCHEMBL1845087 0.76 CCR8 (0.62) CCR8KCNH2SIGMAR1MGLLMEN1
SCHEMBL4236177 0.76 CCR8 (0.73) CCR8KCNH2MGLL
SCHEMBL4234799 0.75 CCR8 (1.00) CCR8KCNH2MEN1KMT2A
SCHEMBL2074176 0.74 CCR8 (0.69) CCR8KCNH2MGLLMEN1KMT2A
SCHEMBL3135777 0.74 CCR8 (0.61) CCR8KCNH2SIGMAR1MGLLMEN1

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 4349/4885ADRA1B 1172/4885

“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.