SCHEMBL3756604

SCHEMBL3756604

CC(CCNC(=O)OC(C)(C)C)N1CCC(N[C@@H](CNc2ccccn2)c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 8/20 0.40
USP30 Q70CQ3 2/20 0.39
NOS2 P35228 1/20 0.38
KDM4D Q6B0I6 4/20 0.38
GPR88 Q9GZN0 1/20 0.38
PCSK9 Q8NBP7 1/20 0.37
BTK Q06187 1/20 0.36

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
SCHEMBL3764142 0.85 CCR5 (0.39) CCR5USP30KDM4DGPR88
SCHEMBL3757466 0.84 CCR5 (0.41) CCR5KDM4DGPR88
SCHEMBL3759966 0.82 CCR5 (0.40) CCR5GPR88
SCHEMBL3764215 0.82 CYP3A4 (0.45) CCR5KDM4DGPR88
SCHEMBL3816009 0.77 CYP3A4 (0.44) CCR5KDM4D
SCHEMBL3757286 0.74 IDO1 (0.44) CCR5
SCHEMBL3757285 0.74 IDO1 (0.44) CCR5
SCHEMBL5576667 0.74 GRIN2B (0.52) USP30
SCHEMBL22241695 0.70 PCSK9 (0.62) PCSK9
SCHEMBL6174559 0.70 BCHE (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 EP disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
EP-1942890-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-07-16 EP disclosed
WO-2006138350-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 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 (2 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 CCR5 1/4885USP30 4287/4885NOS2 3698/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CCR5 1/4885USP30 4287/4885NOS2 3698/4885

“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.