SCHEMBL2473509

SCHEMBL2473509

Cc1cccnc1[C@@H]1CC(=O)C[C@H](c2ncccc2C)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
TNKS2 Q9H2K2 1/20 0.35
OPRL1 P41146 6/20 0.35
PDE10A Q9Y233 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
METAP2 P50579 1/20 0.35
CYP2A6 P11509 1/20 0.34
GSK3B P49841 1/20 0.34
ADORA3 P0DMS8 3/20 0.34
ADORA2A P29274 3/20 0.34
ADORA1 P30542 3/20 0.34
OPRM1 P35372 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 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
SCHEMBL4244126 1.00 NOS3 (0.36) NOS3NOS1NOS2TNKS2OPRL1
SCHEMBL15237607 1.00 NOS3 (0.36) NOS3NOS1NOS2TNKS2OPRL1
SCHEMBL5574831 0.85
SCHEMBL2472143 0.85
SCHEMBL2475137 0.84 TNKS2 (0.33) TNKS2OPRL1
SCHEMBL22333133 0.83 LMNA (0.41) PDE10AATAD2ALDH1A1KDM4ENPC1
SCHEMBL21942852 0.81 KDM4E (0.37) PDE10AALDH1A1KDM4EMEN1NPC1
SCHEMBL2475176 0.80 CHRNA7 (0.43) TNKS2GSK3BADORA3ADORA2AADORA1
SCHEMBL2473359 0.80 CHRNA7 (0.43) TNKS2GSK3BADORA3ADORA2AADORA1
SCHEMBL2474725 0.79 OPRL1 (0.40) NOS3NOS1NOS2OPRL1PDE10A

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 10 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-1809613-B1 METHOD OF MAKING A 2,6-DIARYL PIPERIDINE DERIVATIVE GENZYME CORP (US) 2013-09-04 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
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

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 NOS3 2111/4885NOS1 1491/4885NOS2 1078/4885
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CXCR4, CXCR1, CCR5 NOS3 3770/4885NOS1 3563/4885NOS2 3330/4885

“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.