SCHEMBL2470093

SCHEMBL2470093

CO[C@@H]1C[C@@H](c2ncccc2C)N[C@@H](c2ncccc2C)C1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.34
OPRM1 P35372 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
METAP2 P50579 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2A6 P11509 1/20 0.33
PDE10A Q9Y233 2/20 0.32
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
GRM4 Q14833 1/20 0.31
AURKA O14965 1/20 0.31
ATAD2 Q6PL18 1/20 0.30

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
SCHEMBL2474035 1.00 OPRL1 (0.34) OPRL1OPRM1NOS3NOS1NOS2
SCHEMBL2470559 0.81 NOS3 (0.36) OPRL1OPRM1NOS3NOS1NOS2
SCHEMBL2470462 0.81 NOS3 (0.36) OPRL1OPRM1NOS3NOS1NOS2
SCHEMBL2476492 0.81 NOS3 (0.36) OPRL1OPRM1NOS3NOS1NOS2
SCHEMBL26511990 0.78 OPRL1 (0.39) OPRL1OPRM1NOS3NOS1NOS2
SCHEMBL2473501 0.77 OPRL1 (0.34) OPRL1OPRM1NOS3NOS1NOS2
SCHEMBL2477395 0.77 OPRL1 (0.40) OPRL1OPRM1NOS3NOS1NOS2
SCHEMBL2474725 0.77 OPRL1 (0.40) OPRL1OPRM1NOS3NOS1NOS2
SCHEMBL30586977 0.77 OPRL1 (0.43) OPRL1OPRM1NOS3NOS1NOS2
SCHEMBL2472323 0.77 OPRL1 (0.43) OPRL1OPRM1NOS3NOS1NOS2

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-2664617-A1 Method of making a 2,6-diaryl piperidine derivative Genzyme Corporation (US) 2013-11-20 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 OPRL1 1945/4885OPRM1 1807/4885NOS3 2111/4885
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CXCR4, CXCR1, CCR5 OPRL1 101/4885OPRM1 216/4885NOS3 3770/4885

“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.