SCHEMBL2085673

SCHEMBL2085673

Cc1cnc(CC(NCCCCN(C)C(=O)NO)c2nccc3ccccc23)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 2/20 0.31
RAD52 P43351 2/20 0.31
KMT2A Q03164 1/20 0.31
UHRF1 Q96T88 1/20 0.31
HDAC6 Q9UBN7 2/20 0.31
ADORA2A P29274 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC9 Q9UKV0 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
SCHEMBL2084498 0.89
SCHEMBL2085959 0.88 GBA1 (0.34) CXCR4ITGB3ITGA2BNPC1RAB9A
SCHEMBL2084795 0.80 GBA1 (0.33) NPC1RAB9APOLBRAD52KMT2A
SCHEMBL2085676 0.79 CXCR4 (0.38) CXCR4NPC1RAB9APOLBRAD52
SCHEMBL2084400 0.78 SLC40A1 (0.40) NPC1RAB9AKMT2AHDAC6HDAC1
SCHEMBL2084038 0.77 SMN1; SMN2 (0.38) CXCR4
SCHEMBL2084355 0.76 PRMT5 (0.36) NPC1RAB9APOLBKMT2AADORA2A
SCHEMBL2085665 0.73 CXCR4 (0.31) CXCR4
SCHEMBL2083521 0.73 SYK (0.35)
SCHEMBL2086441 0.70 CXCR4 (0.36) CXCR4POLBRAD52KMT2AUHRF1

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 7 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CXCR4 1/4885ITGB3 515/4885ITGA2B 681/4885

“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.