SCHEMBL2476492

SCHEMBL2476492

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
OPRL1 P41146 10/20 0.36
OPRM1 P35372 1/20 0.36
PDE10A Q9Y233 2/20 0.35
METAP2 P50579 1/20 0.35
PLAU P00749 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP2A6 P11509 1/20 0.34
KCNH2 Q12809 4/20 0.34
SMO Q99835 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL2470462 1.00 NOS3 (0.36) NOS3NOS1NOS2OPRL1OPRM1
SCHEMBL2473236 0.84 OPRL1 (0.31) OPRL1
SCHEMBL5574130 0.84
SCHEMBL4247676 0.84
SCHEMBL2470559 0.83 NOS3 (0.36) NOS3NOS1NOS2OPRL1OPRM1
SCHEMBL26511990 0.81 OPRL1 (0.39) NOS3NOS1NOS2OPRL1OPRM1
SCHEMBL2474035 0.81 OPRL1 (0.34) NOS3NOS1NOS2OPRL1OPRM1
SCHEMBL2470093 0.81 OPRL1 (0.34) NOS3NOS1NOS2OPRL1OPRM1
SCHEMBL2473501 0.80 OPRL1 (0.34) NOS3NOS1NOS2OPRL1OPRM1
SCHEMBL2477395 0.79 OPRL1 (0.40) NOS3NOS1NOS2OPRL1OPRM1

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 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.