SCHEMBL2084947

SCHEMBL2084947

Cc1cccnc1CN(Cc1ncccc1C)[C@H]1CC[C@@H](C(=O)NO)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.39
CXCR4 P61073 1/20 0.39
ABL1 P00519 4/20 0.39
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MALT1 Q9UDY8 1/20 0.34

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
SCHEMBL2084011 1.00 SSTR4 (0.39) SSTR4CXCR4ABL1HPGDNPC1
SCHEMBL12935504 1.00 SSTR4 (0.39) SSTR4CXCR4ABL1HPGDNPC1
SCHEMBL2084530 0.85 BTK (0.39) SSTR4CXCR4HPGDNPC1RAB9A
SCHEMBL2084526 0.85 BTK (0.39) SSTR4CXCR4HPGDNPC1RAB9A
SCHEMBL2085101 0.85 BTK (0.39) SSTR4CXCR4HPGDNPC1RAB9A
SCHEMBL12935509 0.82 CXCR4 (0.39) CXCR4ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL2082218 0.82 CXCR4 (0.39) CXCR4ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL2085739 0.81 TRPV1 (0.43) SSTR4CXCR4KDM4EMAPT
SCHEMBL2087208 0.79 DRD4 (0.42) CXCR4SMN1; SMN2KDM4EALDH1A1
SCHEMBL2084816 0.78 CXCR4 (0.46) CXCR4HPGDSMN1; SMN2ALDH1A1

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
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
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 4293/4885CXCR4 1/4885ABL1 1977/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 SSTR4 3287/4885CXCR4 1/4885ABL1 702/4885

“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.