SCHEMBL2470480

SCHEMBL2470480

COC(=O)c1cc(C#N)ccc1CN1C(c2ncccc2C)CCCC1c1ncccc1C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
P2RX7 Q99572 1/20 0.38
GPR6 P46095 13/20 0.37
CXCR4 P61073 1/20 0.37
USP14 P54578 2/20 0.36
CHRM1 P11229 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
SCHEMBL2475601 1.00 HCRTR1 (0.38) HCRTR1HCRTR2P2RX7GPR6CXCR4
SCHEMBL2470100 0.90 P2RX7 (0.40) HCRTR1HCRTR2P2RX7GPR6CHRM1
SCHEMBL2473538 0.87 CYP11B2 (0.39) HCRTR1HCRTR2USP14
SCHEMBL2474896 0.87 ALOX15 (0.39) CXCR4
SCHEMBL2472903 0.87 ALOX15 (0.39) CXCR4
SCHEMBL2475396 0.86 P2RX7 (0.39) P2RX7CXCR4
SCHEMBL2472806 0.86 P2RX7 (0.39) P2RX7CXCR4CHRM1
SCHEMBL2472764 0.85 KDM4E (0.38) CXCR4CHRM1
SCHEMBL8306824 0.85 KDM4E (0.38) CXCR4CHRM1
SCHEMBL2470095 0.85 KDM4E (0.42) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2664617-A1 Method of making a 2,6-diaryl piperidine derivative Genzyme Corporation (US) 2013-11-20 EP disclosed
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-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
EP-1809613-A2 METHODS OF MAKING 2,6-DIARYL PIPERIDINE DERIVATIVES ANORMED INC. (CA) 2007-07-25 EP disclosed
WO-2006049764-A2 METHODS OF MAKING 2,6-DIARYL PIPERIDINE DERIVATIVES ANORMED INC. (CA) 2006-05-11 WO 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

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-20050154201-A1 Methods of making 2,6-diaryl piperidine derivatives ALDH7A1, DPYD, ALDH1A1 HCRTR1 2372/4885HCRTR2 1428/4885P2RX7 1136/4885
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CXCR4, CXCR1, CCR5 HCRTR1 461/4885HCRTR2 549/4885P2RX7 285/4885

“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.