SCHEMBL5576150

SCHEMBL5576150

O=C(O)COc1ccc(Sc2ccc(CN3CCC(N4C(=O)OC[C@H]4c4cccc(Cl)c4)CC3)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 12/20 0.51
CCR4 P51679 2/20 0.51
KCNH2 Q12809 1/20 0.39
FAAH O00519 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MCHR1 Q99705 4/20 0.37
ADRB3 P13945 1/20 0.37
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
CXCR3 P49682 1/20 0.35

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
SCHEMBL5576159 1.00 CCR5 (0.51) CCR5CCR4KCNH2FAAHBCHE
SCHEMBL5576041 0.87 CCR5 (0.52) CCR5CCR4KCNH2FAAHBCHE
SCHEMBL5576031 0.87 CCR5 (0.52) CCR5CCR4KCNH2FAAHBCHE
SCHEMBL5573913 0.86 CCR5 (0.71) CCR5CCR4KCNH2
SCHEMBL5573908 0.86 CCR5 (0.71) CCR5CCR4KCNH2
SCHEMBL14614407 0.80 CCR5 (0.58) CCR5CCR4FAAHBCHEACHE
SCHEMBL4627849 0.79 CCR5 (0.46) CCR5CCR4KCNH2MCHR1
SCHEMBL4627844 0.79 CCR5 (0.46) CCR5CCR4KCNH2MCHR1
SCHEMBL5576320 0.78 CCR5 (0.59) CCR5CCR4KCNH2
SCHEMBL5576306 0.78 CCR5 (0.59) CCR5CCR4KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 CCR5 1/4885CCR4 2/4885KCNH2 4762/4885

“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.