SCHEMBL2255178

SCHEMBL2255178

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
PTGS1 P23219 2/20 0.51
NPC1 O15118 1/20 0.51
CNR1 P21554 2/20 0.51
CNR2 P34972 2/20 0.51
GAA P10253 2/20 0.48
NPY5R Q15761 1/20 0.46
DEGS1 O15121 1/20 0.46
POLB P06746 1/20 0.45
EPHX2 P34913 1/20 0.45
IDO1 P14902 1/20 0.45
TRPV1 Q8NER1 3/20 0.43
XPO1 O14980 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SCN9A Q15858 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
SCHEMBL3928750 0.83 RAB9A (0.58) RAB9APTGS1NPC1CNR1CNR2
SCHEMBL1465583 0.81 RAB9A (0.57) RAB9APTGS1NPC1CNR1CNR2
SCHEMBL2259495 0.79 RAB9A (0.49) RAB9APTGS1NPC1CNR1CNR2
SCHEMBL1621494 0.79 RAB9A (0.52) RAB9APTGS1NPC1CNR1CNR2
SCHEMBL2256509 0.79 NPY5R (0.53) RAB9APTGS1NPC1CNR1CNR2
SCHEMBL9893012 0.79 RAB9A (0.57) RAB9APTGS1NPC1GAANPY5R
SCHEMBL15219103 0.78 GAA (0.48) RAB9APTGS1NPC1CNR1CNR2
SCHEMBL14960340 0.78 RAB9A (0.53) RAB9APTGS1NPC1CNR1CNR2
SCHEMBL2252774 0.77 RAB9A (0.50) RAB9APTGS1NPC1GAANPY5R
SCHEMBL2254610 0.77 RAB9A (0.50) RAB9APTGS1NPC1GAANPY5R

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 9 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 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 RAB9A 2591/4885PTGS1 430/4885NPC1 1155/4885

“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.