SCHEMBL2082167

SCHEMBL2082167

CC(C)(C)OC(=O)N(CCCCN)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.35
MC4R P32245 3/20 0.33
MC3R P41968 3/20 0.33
MC5R P33032 2/20 0.33
DPP4 P27487 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CCR5 P51681 1/20 0.30
HSD11B1 P28845 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMYD3 Q9H7B4 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
SCHEMBL1700621 0.95 DPP4 (0.34) CA14MC4RMC3RMC5RDPP4
SCHEMBL14690784 0.89 DPP4 (0.36) CA14MC4RMC3RMC5RDPP4
SCHEMBL13668663 0.88 MC4R (0.37) CA14MC4RMC3RMC5RDPP4
SCHEMBL4711748 0.86 CA14 (0.39) CA14DPP4L3MBTL1HDAC1HDAC2
SCHEMBL24577516 0.84 DPP4 (0.37) CA14MC4RMC3RMC5RDPP4
SCHEMBL4914499 0.84 CA14 (0.37) CA14DPP4L3MBTL1HDAC1HDAC2
SCHEMBL7303736 0.83 HDAC1 (0.38) CA14L3MBTL1HDAC1HDAC2HDAC6
SCHEMBL12827200 0.83 L3MBTL1 (0.33) CA14DPP4L3MBTL1HDAC1HDAC2
SCHEMBL5115348 0.83 CA14 (0.33) CA14DPP4L3MBTL1HDAC1HDAC2
SCHEMBL4905655 0.83 L3MBTL1 (0.33) CA14DPP4L3MBTL1HDAC1HDAC2

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 CA14 4109/4885MC4R 1196/4885MC3R 349/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CA14 3763/4885MC4R 777/4885MC3R 376/4885

“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.