SCHEMBL2473631

SCHEMBL2473631

Cc1cccnc1[C@H]1CCC[C@@H](c2ncccc2C)N1Cc1ccccc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
CXCR4 P61073 5/20 0.38
PARP1 P09874 2/20 0.38
FABP4 P15090 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
OPRL1 P41146 1/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
NAMPT P43490 1/20 0.36
PDE10A Q9Y233 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL2473411 0.91 CXCR4 (0.39) CXCR4OPRL1CTNNB1WNT3APDE10A
SCHEMBL8306014 0.91 CXCR4 (0.39) CXCR4OPRL1CTNNB1WNT3APDE10A
SCHEMBL8306157 0.90 ALDH1A1 (0.42) BRD4CXCR4PDE10AALDH1A1SMN1; SMN2
SCHEMBL2474050 0.90 ALDH1A1 (0.42) BRD4CXCR4PDE10AALDH1A1SMN1; SMN2
SCHEMBL2472939 0.88 CXCR4 (0.37) CXCR4OPRL1CTNNB1WNT3APDE10A
SCHEMBL2476818 0.88 CXCR4 (0.38) CXCR4OPRM1OPRK1KCNH2OPRL1
SCHEMBL11904313 0.87 BRD4 (0.33) BRD4CXCR4PARP1FABP4OPRM1
SCHEMBL8301697 0.87 KDM4E (0.42) CXCR4OPRK1KDM4EALDH1A1
SCHEMBL2470095 0.87 KDM4E (0.42) CXCR4OPRK1KDM4EALDH1A1
SCHEMBL2470463 0.86 CXCR4 (0.37) CXCR4OPRM1OPRK1KCNH2

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 15 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 claimed
EP-2374804-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy Genzyme Corporation (US) 2011-10-12 EP claimed
EP-1615633-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2012-08-15 EP disclosed
EP-2374804-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy Genzyme Corporation (US) 2011-10-12 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-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
US-7501518-B2 Methods of making 2,6-diaryl piperidine derivatives GENZYME CORPORATION (US) 2009-03-10 US disclosed
US-20050154201-A1 Methods of making 2,6-diaryl piperidine derivatives ANORMED CORPORATION (CA) 2005-07-14 US disclosed
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED CORPORATION (CA) 2005-03-17 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 (3 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-20050154201-A1 Methods of making 2,6-diaryl piperidine derivatives ALDH7A1, DPYD, ALDH1A1 BRD4 509/4885CXCR4 2190/4885PARP1 293/4885
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CXCR4, CXCR1, CCR5 BRD4 338/4885CXCR4 1/4885PARP1 1982/4885
US-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CXCR4, CXCR1, CCR5 BRD4 338/4885CXCR4 1/4885PARP1 1982/4885

“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.