SCHEMBL8306155

SCHEMBL8306155

CC(=O)NCc1ccc(CN2[C@@H](c3ncccc3C)CCC[C@H]2c2ncccc2C)c(CO)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
P2RX7 Q99572 6/20 0.35
DRD2 P14416 3/20 0.34
HTR2C P28335 2/20 0.34
HRH1 P35367 2/20 0.34
AKT1 P31749 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33

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
SCHEMBL2474177 0.92 CXCR4 (0.35) CXCR4KDM4EP2RX7AKT1TP53
SCHEMBL2473633 0.90 PTGES (0.40) CXCR4KDM4EP2RX7DRD2
SCHEMBL11983350 0.90 MAPT (0.36) CXCR4KDM4EP2RX7LMNATP53
SCHEMBL8306147 0.88 CXCR4 (0.34) CXCR4L3MBTL1KDM4EP2RX7
SCHEMBL8301709 0.88 CXCR4 (0.40) CXCR4L3MBTL1KDM4ELMNA
SCHEMBL2479491 0.87 SMO (0.35) CXCR4KDM4ELMNACPT2CPT1A
SCHEMBL2475096 0.87 CXCR4 (0.33) CXCR4L3MBTL1KDM4EP2RX7
SCHEMBL11983319 0.85 EPHX2 (0.39) P2RX7LMNA
SCHEMBL2470469 0.85 CXCR4 (0.38) CXCR4
SCHEMBL2472333 0.85 CXCR4 (0.38) CXCR4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615633-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2012-08-15 EP disclosed
US-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED, INC. (CA) 2009-11-12 US disclosed
US-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED, INC. (CA) 2009-11-12 US disclosed
US-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 US disclosed
US-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 US disclosed
WO-2004093817-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2004-11-04 WO 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-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CXCR4, CXCR1, CCR5 CXCR4 1/4885L3MBTL1 2383/4885KDM4E 3731/4885

“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.