SCHEMBL2083940

SCHEMBL2083940

Cc1cc(Cl)cnc1CC(NC1CCN(C(=O)NO)CC1)c1nccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.36
MAPK8 P45983 8/20 0.36
MAPK9 P45984 8/20 0.36
JUN P05412 6/20 0.36
MAPK10 P53779 5/20 0.36
IDO1 P14902 1/20 0.35
CDK2 P24941 4/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
CCR3 P51677 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
EPHX2 P34913 1/20 0.33
SYK P43405 1/20 0.33
SSTR4 P31391 1/20 0.33

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
SCHEMBL2083521 0.92 SYK (0.35) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL2084598 0.87 ACHE (0.41) MAPK8MAPK9MAPK10IDO1NOS1
SCHEMBL2084362 0.84 BRD4 (0.35)
SCHEMBL2086584 0.79 ACHE (0.41) EPHX2SYK
SCHEMBL2083942 0.78 HCRTR1 (0.37) HCRTR1MAPK8MAPK9JUNMAPK10
SCHEMBL2081861 0.75 BRD4 (0.36)
SCHEMBL2083524 0.69 OPRL1 (0.36) MAPK8MAPK9JUNMAPK10CDK2
SCHEMBL5058388 0.68 ACHE (0.37) HCRTR1DRD2DRD4DRD3CCR3
SCHEMBL23428930 0.68 HCRTR1 (0.36) HCRTR1MAPK8MAPK9MAPK10CCR3
SCHEMBL2084795 0.68 GBA1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US claimed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US claimed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US claimed
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO disclosed
US-20040209921-A1 CXCR4 chemokine receptor binding comounds ANORMED CORPORATION (CA) 2004-10-21 US 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-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 HCRTR1 121/4885MAPK8 2525/4885MAPK9 1777/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 HCRTR1 155/4885MAPK8 2071/4885MAPK9 1527/4885

“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.