SCHEMBL2082883

SCHEMBL2082883

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.35
CHRM2 P08172 1/20 0.35
ACHE P22303 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
TRPV4 Q9HBA0 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
METAP2 P50579 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
SSTR4 P31391 5/20 0.32
ADORA2A P29274 1/20 0.32
PDK2 Q15119 1/20 0.32
CTSK P43235 1/20 0.32
CA14 Q9ULX7 1/20 0.32
GBA1 P04062 1/20 0.31
SSTR1 P30872 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2084235 0.89 BCHE (0.34) BCHECHRM2ACHEAAK1TRPV4
SCHEMBL2085272 0.85 SSTR4 (0.35) SLC40A1SSTR4ADORA2ASSTR1
SCHEMBL2086074 0.82 MAOA (0.46) MEN1KMT2A
SCHEMBL2082779 0.80 STK17B (0.46) MEN1KMT2A
SCHEMBL21743819 0.80 CPB2 (0.36) CHRM2HDAC6SSTR4CA14
SCHEMBL30069421 0.79 CACNA1G (0.39) SSTR4PDK2
SCHEMBL2084915 0.76 CA14 (0.39) SSTR4CA14
SCHEMBL2082873 0.75 CHRM2 (0.39) BCHECHRM2ACHEAAK1METAP2
SCHEMBL2083325 0.75 SSTR4 (0.36) SSTR4
SCHEMBL25352467 0.74 CA14 (0.48) BCHECHRM2ACHEAAK1HDAC6

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 15 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
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
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US 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-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US 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
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 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 BCHE 3734/4885CHRM2 785/4885ACHE 3926/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 BCHE 4360/4885CHRM2 655/4885ACHE 3767/4885

“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.