SCHEMBL2686381

SCHEMBL2686381

CC(C)(C)c1cc(CN)n(-c2cccc(F)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.50
MAPK14 Q16539 3/20 0.46

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
Hydrochloric Acid SCHEMBL14658931 0.99 TRPV1 (0.49) TRPV1MAPK14
SCHEMBL14661976 0.87 TRPV1 (0.51) TRPV1
SCHEMBL12982424 0.85 TRPV1 (0.37) TRPV1MAPK14
SCHEMBL12982712 0.84 MAPK14 (0.50) TRPV1MAPK14
SCHEMBL12981572 0.84 TRPV1 (0.48) TRPV1MAPK14
SCHEMBL287951 0.84 GRN (0.55) TRPV1MAPK14
SCHEMBL12982664 0.84 TRPV1 (0.52) TRPV1MAPK14
SCHEMBL287455 0.83 TRPV1 (0.57) TRPV1MAPK14
SCHEMBL12983350 0.83 TRPV1 (0.43) TRPV1MAPK14
SCHEMBL12982945 0.82 MAPK14 (0.51) TRPV1MAPK14

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-2776398-B1 SUBSTITUTED PYRAZOLYL-BASED UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS MEDIFRON DBT INC (KR) 2020-09-02 EP disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 US disclosed
US-8946204-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-02-03 US disclosed
EP-2776399-A1 SUBSTITUTED PYRAZOLYL-BASED CARBOXAMIDE AND UREA DERIVATIVES BEARING A PHENYL MOIETY SUBSTITUTED WITH AN N-CONTAINING GROUP AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2014-09-17 EP disclosed
EP-2776398-A1 SUBSTITUTED PYRAZOLYL-BASED CARBOXAMIDE AND UREA DERIVATIVES BEARING A PHENYL MOIETY SUBSTITUTED WITH AN O-CONTAINING GROUP AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2014-09-17 EP disclosed
EP-2638015-A1 SUBSTITUTED BICYCLIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-09-18 EP disclosed
EP-2638034-A1 SUBSTITUTED HETEROAROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-09-18 EP disclosed
WO-2013068461-A1 SUBSTITUTED PYRAZOLYL-BASED CARBOXAMIDE AND UREA DERIVATIVES BEARING A PHENYL MOIETY SUBSTITUTED WITH AN O-CONTAINING GROUP AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-05-16 WO disclosed
WO-2013068462-A1 SUBSTITUTED PYRAZOLYL-BASED CARBOXAMIDE AND UREA DERIVATIVES BEARING A PHENYL MOIETY SUBSTITUTED WITH AN N-CONTAINING GROUP AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-05-16 WO disclosed
US-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-01-31 US disclosed
US-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-01-31 US disclosed
WO-2013013815-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLE-CONTAINING CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-01-31 WO disclosed
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-10-11 US disclosed
WO-2012062463-A1 SUBSTITUTED BICYCLIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-05-18 WO disclosed
WO-2012062462-A1 SUBSTITUTED HETEROAROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-05-18 WO disclosed
US-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 US disclosed
US-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 US 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 (5 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-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 TRPV1 1/4885MAPK14 1748/4885
US-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, OPRM1, OPRK1 TRPV1 1/4885MAPK14 2243/4885
US-20120258946-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 TRPV1 1/4885MAPK14 1748/4885
US-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, GPR17, TRPV3 TRPV1 1/4885MAPK14 1098/4885
US-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, CNR1, CNR2 TRPV1 1/4885MAPK14 1635/4885

“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.