SCHEMBL2526422

SCHEMBL2526422

CC(C)(C)OC(=O)ON1CCC(CNc2nc(C(F)(F)F)ccc2C#N)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
GPR119 Q8TDV5 3/20 0.36
CHEK1 O14757 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TGFBR1 P36897 1/20 0.35
BCDIN3D Q7Z5W3 1/20 0.34
LDHA P00338 1/20 0.34
USP30 Q70CQ3 1/20 0.34
BDKRB1 P46663 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
SYK P43405 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
AR P10275 3/20 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
SCHEMBL2526420 0.87 TRPV1 (0.52) TRPV1GPR119JAK2JAK1TGFBR1
SCHEMBL2525607 0.84 TRPV1 (0.46) TRPV1GPR119TGFBR1BCDIN3DKDM4E
SCHEMBL2529062 0.83 TRPV1 (0.41) TRPV1GPR119USP30
SCHEMBL2528335 0.79 GPR6 (0.41) TRPV1GPR119
SCHEMBL15831810 0.74 CCNA2 (0.49) GPR119JAK2JAK1TGFBR1BCDIN3D
SCHEMBL15635619 0.74 PTGS1 (0.45) CHEK1
SCHEMBL12167419 0.73 TRPV1 (0.54) TRPV1GPR119TGFBR1BCDIN3DKDM4E
SCHEMBL2531187 0.72 TRPV1 (0.46) TRPV1
SCHEMBL2525604 0.71 TRPV1 (0.58) TRPV1GPR119TGFBR1BCDIN3DKDM4E
SCHEMBL2529059 0.70 TRPV1 (0.52) TRPV1GPR119

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 8 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-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-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
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 1/4885GPR119 152/4885CHEK1 4770/4885
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 TRPV1 1/4885GPR119 152/4885CHEK1 4770/4885

“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.