SCHEMBL2474725

SCHEMBL2474725

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.40
CYP2A6 P11509 1/20 0.40
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
METAP2 P50579 1/20 0.37
PDE10A Q9Y233 2/20 0.36
OPRM1 P35372 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
PLAU P00749 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPY5R Q15761 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL2472847 0.82 OPRL1 (0.43) OPRL1CYP2A6NOS3NOS1NOS2
SCHEMBL30586977 0.82 OPRL1 (0.43) OPRL1CYP2A6NOS3NOS1NOS2
SCHEMBL2472323 0.82 OPRL1 (0.43) OPRL1CYP2A6NOS3NOS1NOS2
SCHEMBL2477395 0.82 OPRL1 (0.40) OPRL1CYP2A6NOS3NOS1NOS2
SCHEMBL14067769 0.79 NOS3 (0.42) OPRL1CYP2A6NOS3NOS1NOS2
SCHEMBL15237607 0.79 NOS3 (0.36) OPRL1CYP2A6NOS3NOS1NOS2
SCHEMBL2473509 0.79 NOS3 (0.36) OPRL1CYP2A6NOS3NOS1NOS2
SCHEMBL2470462 0.79 NOS3 (0.36) OPRL1CYP2A6NOS3NOS1NOS2
SCHEMBL2476492 0.79 NOS3 (0.36) OPRL1CYP2A6NOS3NOS1NOS2
SCHEMBL2470559 0.79 NOS3 (0.36) OPRL1CYP2A6NOS3NOS1NOS2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 US disclosed
EP-1615633-A4 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC (CA) 2008-07-09 EP disclosed
EP-1615633-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2006-01-18 EP 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 (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-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CXCR4, CXCR1, CCR5 OPRL1 101/4885CYP2A6 2150/4885NOS3 3770/4885
US-20090281308-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CXCR4, CXCR1, CCR5 OPRL1 101/4885CYP2A6 2150/4885NOS3 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.