SCHEMBL2532224

SCHEMBL2532224

CC1CCC(COc2nc(C(F)(F)F)ccc2C#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.43
SLC6A4 P31645 2/20 0.42
NOS2 P35228 2/20 0.42
AR P10275 2/20 0.37
PTGS2 P35354 3/20 0.36
PTGS1 P23219 1/20 0.36
CNR2 P34972 5/20 0.36
GPR119 Q8TDV5 1/20 0.36
XDH P47989 1/20 0.35
KDM1A O60341 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL2524741 0.94 SLC6A4 (0.46) TRPV1SLC6A4NOS2ARPTGS2
SCHEMBL2524371 0.88 SLC6A4 (0.44) TRPV1SLC6A4NOS2ARPTGS2
SCHEMBL2525496 0.88 SLC6A4 (0.44) TRPV1SLC6A4NOS2ARPTGS2
SCHEMBL2530058 0.87 PTGS2 (0.44) TRPV1SLC6A4NOS2ARPTGS2
SCHEMBL2525277 0.82 SLC6A4 (0.41) TRPV1SLC6A4NOS2ARPTGS1
SCHEMBL2527534 0.82 SLC6A4 (0.43) TRPV1SLC6A4NOS2ARGPR119
SCHEMBL15831929 0.82 XDH (0.42) CNR2XDHKDM1A
SCHEMBL2529166 0.80 TRPV1 (0.49) TRPV1PTGS2PTGS1CNR2
SCHEMBL2528769 0.78 GAA (0.50) SLC6A4NOS2ARGPR119
SCHEMBL2529059 0.78 TRPV1 (0.52) TRPV1CNR2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations GRUENENTHAL GMBH (DE) 2014-06-26 US disclosed
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations GRUENENTHAL GMBH (DE) 2014-06-26 US disclosed
US-8710233-B2 Vanilloid receptor ligands and use thereof for the production of pharmaceutical preparations GRUENENTHAL GMBH (DE) 2014-04-29 US disclosed
US-8710233-B2 Vanilloid receptor ligands and use thereof for the production of pharmaceutical preparations GRUENENTHAL GMBH (DE) 2014-04-29 US disclosed
US-8710233-B2 Vanilloid receptor ligands and use thereof for the production of pharmaceutical preparations GRUENENTHAL GMBH (DE) 2014-04-29 US disclosed
EP-1940821-B1 NOVEL VANILLOID RECEPTOR LIGANDS AND THEIR USE FOR PRODUCING MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-03-20 EP disclosed
EP-1940821-B1 NOVEL VANILLOID RECEPTOR LIGANDS AND THEIR USE FOR PRODUCING MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-03-20 EP disclosed
EP-2388258-A1 Novel vanilloid receptor ligands and their use for producing medicaments Grünenthal GmbH (DE) 2011-11-23 EP disclosed
EP-2388258-A1 Novel vanilloid receptor ligands and their use for producing medicaments Grünenthal GmbH (DE) 2011-11-23 EP disclosed
US-8038010-B1 Single piece edge protector for curved objects ILLINOIS TOOL WORKS INC. (US) 2011-10-18 US disclosed
EP-1940821-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THEIR USE FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2008-07-09 EP disclosed
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS GRUENENTHAL GMBH (DE) 2007-05-10 US disclosed
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS GRUENENTHAL GMBH (DE) 2007-05-10 US disclosed
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS GRUENENTHAL GMBH (DE) 2007-05-10 US disclosed
WO-2007045462-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THEIR USE FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2007-04-26 WO disclosed
WO-2007045462-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THEIR USE FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2007-04-26 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-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS TRPV1, TRPV5, TRPV2 TRPV1 1/4885SLC6A4 605/4885NOS2 4410/4885
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 TRPV1 1/4885SLC6A4 605/4885NOS2 4410/4885

“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.