SCHEMBL2525510

SCHEMBL2525510

CCOc1nc(C(F)(F)F)ccc1CN

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.51
TRPV1 Q8NER1 12/20 0.41
GRM5 P41594 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.37
LOX P28300 1/20 0.36
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A4 P31645 1/20 0.33
NOS2 P35228 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
Acetic Acid SCHEMBL5467044 0.92 MBOAT4 (0.46) MBOAT4TRPV1SLC6A4NOS2
SCHEMBL2529879 0.88 TRPV1 (0.43) MBOAT4TRPV1LOXL2
SCHEMBL2528526 0.86 TRPV1 (0.45) MBOAT4TRPV1
SCHEMBL2525752 0.85 TRPV1 (0.46) MBOAT4TRPV1
SCHEMBL21231125 0.84 MBOAT4 (0.48) MBOAT4TRPV1GRM5
SCHEMBL2525244 0.84 TRPV1 (0.46) MBOAT4TRPV1
SCHEMBL2528780 0.83 MBOAT4 (0.48) MBOAT4TRPV1LOXL2LOXSLC6A4
SCHEMBL2529100 0.83 TRPV1 (0.45) MBOAT4TRPV1LOXL2SLC6A4NOS2
SCHEMBL2524594 0.83 TRPV1 (0.46) MBOAT4TRPV1LOXL2
SCHEMBL2527355 0.82 TRPV1 (0.45) MBOAT4TRPV1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760837-A1 SUBSTITUTED METHANESULFONAMIDE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2014-08-06 EP 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
WO-2013045452-A1 SUBSTITUTED METHANESULFONAMIDE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-04-04 WO disclosed
WO-2013045452-A1 SUBSTITUTED METHANESULFONAMIDE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-04-04 WO disclosed
US-20130079373-A1 Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 US disclosed
US-20130079373-A1 Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 US disclosed
US-20130079373-A1 Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 US 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
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 (3 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 MBOAT4 1687/4885TRPV1 1/4885GRM5 370/4885
US-20130079373-A1 Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands TRPV1, TRPV3, TRPA1 MBOAT4 1080/4885TRPV1 1/4885GRM5 199/4885
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 MBOAT4 1687/4885TRPV1 1/4885GRM5 370/4885

“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.