SCHEMBL2085272

SCHEMBL2085272

Cc1cnc(CNCCCCN(C(=O)OC(C)(C)C)C2CC2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 12/20 0.35
SSTR1 P30872 2/20 0.34
NR1H4 Q96RI1 1/20 0.31
SLC40A1 Q9NP59 1/20 0.31
PIK3CD O00329 1/20 0.30
ADORA2A P29274 1/20 0.30
CXCR4 P61073 1/20 0.30

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
SCHEMBL2083325 0.90 SSTR4 (0.36) SSTR4
SCHEMBL2082883 0.85 BCHE (0.35) SSTR4SSTR1SLC40A1ADORA2A
SCHEMBL2086074 0.78 MAOA (0.46)
SCHEMBL2082779 0.76 STK17B (0.46)
SCHEMBL21743819 0.76 CPB2 (0.36) SSTR4CXCR4
SCHEMBL2084235 0.75 BCHE (0.34) SSTR4
SCHEMBL2084915 0.72 CA14 (0.39) SSTR4
SCHEMBL2085954 0.71 CXCR4 (0.35) NR1H4CXCR4
SCHEMBL2084248 0.69 TP53 (0.38) SLC40A1ADORA2A
SCHEMBL2083332 0.69 ADORA2A (0.43) ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SSTR4 4293/4885SSTR1 2654/4885NR1H4 645/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 SSTR4 3287/4885SSTR1 2363/4885NR1H4 547/4885

“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.