SCHEMBL8306813

SCHEMBL8306813

Cc1cccnc1[C@H]1CCC[C@@H](c2ncccc2C)N1Cc1ccc(CO)cc1N

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 7/20 0.39
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33
OPRL1 P41146 2/20 0.32
CFB P00751 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
AXL P30530 4/20 0.32
MERTK Q12866 4/20 0.32

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
SCHEMBL2474527 1.00 CXCR4 (0.39) CXCR4PRKACARPS6KB1OPRL1CFB
SCHEMBL8301709 0.89 CXCR4 (0.40) CXCR4OPRL1CFBMEN1KMT2A
SCHEMBL2476893 0.88 CXCR4 (0.41) CXCR4PRKACARPS6KB1OPRL1MEN1
SCHEMBL2470463 0.87 CXCR4 (0.37) CXCR4MEN1KMT2AAXLMERTK
SCHEMBL2474569 0.85 TLR7 (0.40) CXCR4
SCHEMBL2501820 0.85 CXCR4 (0.41) CXCR4
SCHEMBL2472333 0.84 CXCR4 (0.38) CXCR4OPRL1MEN1KMT2A
SCHEMBL2470469 0.84 CXCR4 (0.38) CXCR4OPRL1MEN1KMT2A
SCHEMBL11983265 0.84 CXCR4 (0.41) CXCR4OPRL1CFBMEN1KMT2A
SCHEMBL2470058 0.83 CXCR4 (0.41) CXCR4OPRL1

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 8 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
US-7501518-B2 Methods of making 2,6-diaryl piperidine derivatives GENZYME CORPORATION (US) 2009-03-10 US disclosed
US-7501518-B2 Methods of making 2,6-diaryl piperidine derivatives GENZYME CORPORATION (US) 2009-03-10 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 1/4885PRKACA 1716/4885RPS6KB1 2269/4885

“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.