SCHEMBL2082926

SCHEMBL2082926

Cc1cnc(CNC2CCCc3cccnc32)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 11/20 0.54
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
MAPK1 P28482 1/20 0.38
OPRL1 P41146 3/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
DHFR P00374 1/20 0.36
KCNH2 Q12809 1/20 0.36
ADORA2A P29274 1/20 0.35

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
SCHEMBL2084411 1.00 CXCR4 (0.54) CXCR4HDAC1HDAC6MAPK1OPRL1
SCHEMBL2083415 1.00 CXCR4 (0.54) CXCR4HDAC1HDAC6MAPK1OPRL1
SCHEMBL5575259 0.90 CXCR4 (0.52) CXCR4HDAC1HDAC6MAPK1OPRL1
SCHEMBL5574564 0.89 CXCR4 (0.51) CXCR4HDAC1HDAC6
SCHEMBL5575977 0.89 CXCR4 (0.51) CXCR4HDAC1HDAC6
SCHEMBL2085776 0.80 CXCR4 (0.47) CXCR4HDAC1HDAC6MAPK1MEN1
SCHEMBL2082761 0.79 CXCR4 (0.56) CXCR4HDAC1HDAC6
SCHEMBL13909588 0.78 HDAC1 (0.60) CXCR4HDAC1HDAC6OPRL1
SCHEMBL13909820 0.78 HDAC1 (0.76) CXCR4HDAC1HDAC6
SCHEMBL30379489 0.78 HDAC1 (0.61) CXCR4HDAC1HDAC6ADORA2A

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 CXCR4 1/4885HDAC1 1911/4885HDAC6 3403/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CXCR4 1/4885HDAC1 1565/4885HDAC6 2532/4885

“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.