SCHEMBL2532372

SCHEMBL2532372

NCc1ccc(C(F)(F)F)nc1OC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.49
TRPV1 Q8NER1 11/20 0.45
PTGS1 P23219 5/20 0.40
CDK2 P24941 1/20 0.39
KDR P35968 1/20 0.39
LOX P28300 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
CDK1 P06493 1/20 0.36

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
SCHEMBL2532464 0.99 MBOAT4 (0.50) MBOAT4TRPV1PTGS1CDK2KDR
SCHEMBL2530336 0.96 MBOAT4 (0.53) MBOAT4TRPV1PTGS1CDK2KDR
SCHEMBL2532178 0.89 TRPV1 (0.47) MBOAT4TRPV1PTGS1CDK2KDR
SCHEMBL2527370 0.88 TRPV1 (0.46) MBOAT4TRPV1PTGS1CDK2KDR
SCHEMBL2530815 0.86 TRPV1 (0.47) MBOAT4TRPV1PTGS1LOXL2
SCHEMBL2527209 0.86 TRPV1 (0.47) MBOAT4TRPV1
SCHEMBL14797550 0.86 MBOAT4 (0.43) MBOAT4TRPV1
SCHEMBL2529537 0.86 TRPV1 (0.45) MBOAT4TRPV1PTGS1CDK2KDR
SCHEMBL2531204 0.84 TRPV1 (0.44) MBOAT4TRPV1PTGS1CDK2KDR
SCHEMBL2531618 0.84 TRPV1 (0.49) MBOAT4TRPV1

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 MBOAT4 1687/4885TRPV1 1/4885PTGS1 1704/4885
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 MBOAT4 1687/4885TRPV1 1/4885PTGS1 1704/4885

“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.