SCHEMBL2256509

SCHEMBL2256509

CC(C)(NC1CCCCC1)C(=O)Nc1ccc(C(F)(F)F)cn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.53
RAB9A P51151 2/20 0.46
PTGS1 P23219 2/20 0.46
NPC1 O15118 1/20 0.46
EPHX2 P34913 1/20 0.46
HCRTR1 O43613 5/20 0.44
GAA P10253 2/20 0.44
DEGS1 O15121 2/20 0.41
HSD11B1 P28845 1/20 0.41
POLB P06746 1/20 0.41
HCRTR2 O43614 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL3659188 0.82 NPY5R (0.66) NPY5RRAB9APTGS1NPC1EPHX2
SCHEMBL14960309 0.81 NPY5R (0.48) NPY5RRAB9APTGS1NPC1EPHX2
SCHEMBL3659397 0.81 NPY5R (0.67) NPY5RRAB9APTGS1NPC1EPHX2
SCHEMBL2250119 0.80 CNR2 (0.52) EPHX2CNR1CNR2
SCHEMBL1621413 0.80 NPY5R (0.52) NPY5RRAB9APTGS1NPC1EPHX2
SCHEMBL1621229 0.79 NPY5R (0.53) NPY5RRAB9APTGS1NPC1EPHX2
SCHEMBL1621445 0.79 NPY5R (0.53) NPY5RRAB9APTGS1NPC1EPHX2
SCHEMBL2255178 0.79 RAB9A (0.51) NPY5RRAB9APTGS1NPC1EPHX2
SCHEMBL1620950 0.78 NPY5R (0.54) NPY5RRAB9APTGS1NPC1EPHX2
SCHEMBL3928750 0.78 RAB9A (0.58) NPY5RRAB9APTGS1NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957063-B2 Amine and ether compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2015-02-17 US claimed
EP-2265585-B1 AMINE AND ETHER COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2014-09-17 EP claimed
EP-2265585-A1 AMINE AND ETHER COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2010-12-29 EP claimed
WO-2009105509-A1 AMINE AND ETHER COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-27 WO claimed
US-8957063-B2 Amine and ether compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2015-02-17 US disclosed
US-8957063-B2 Amine and ether compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2015-02-17 US disclosed
US-8957063-B2 Amine and ether compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2015-02-17 US disclosed
EP-2265585-B1 AMINE AND ETHER COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2014-09-17 EP disclosed
EP-2265585-B1 AMINE AND ETHER COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2014-09-17 EP disclosed
US-20110190256-A1 Amine and Ether Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 US disclosed
US-20110190256-A1 Amine and Ether Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 US disclosed
US-20110190256-A1 Amine and Ether Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 US disclosed
WO-2009105509-A1 AMINE AND ETHER COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-27 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 (1 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-20110190256-A1 Amine and Ether Compounds Which Modulate The CB2 Receptor CNR2, CNR1, GPR18 NPY5R 166/4885RAB9A 2591/4885PTGS1 430/4885

“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.