SCHEMBL6498116

SCHEMBL6498116

COc1ccccc1Oc1cccc(CN2CCN(C(=O)C=Cc3ccc(F)cc3)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.67
GPR183 P32249 4/20 0.60
MGLL Q99685 1/20 0.56
BCHE P06276 3/20 0.55
MAOA P21397 3/20 0.55
MAOB P27338 3/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL6499343 0.85 CCR8 (0.61) MGLLMEN1KMT2A
SCHEMBL6505553 0.84 CCR8 (0.70) MGLLMEN1KMT2A
SCHEMBL17938684 0.83 ACHE (0.74) ACHEGPR183BCHEMAOAMAOB
SCHEMBL17938682 0.83 ACHE (0.74) ACHEGPR183BCHEMAOAMAOB
SCHEMBL6498564 0.83 MGLL (0.60) MGLLMEN1KMT2A
SCHEMBL6505465 0.81 CCR8 (0.58) MGLLMEN1KMT2A
SCHEMBL6498114 0.80 CCR8 (0.54) MGLLMEN1KMT2A
SCHEMBL6500022 0.80 CCR8 (0.66) MGLLMEN1KMT2A
SCHEMBL6509295 0.80 CCR8 (0.68) MGLLMEN1KMT2A
SCHEMBL6504122 0.79 MEN1 (0.72) MGLLMEN1KMT2A

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 ACHE 2660/4885GPR183 37/4885MGLL 997/4885

“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.