SCHEMBL657835

SCHEMBL657835

CC(C)(C)c1nc(CNC(=O)N2CCN(c3ncccc3Cl)CC2)n(-c2cccc(Cl)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.52
TRPA1 O75762 4/20 0.51
TRPV1 Q8NER1 2/20 0.51
KCNH2 Q12809 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
CNR2 P34972 1/20 0.47
CHRM4 P08173 1/20 0.46
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL655675 0.86 TRPV1 (0.59) RBP4TRPA1TRPV1KCNH2TRPM8
SCHEMBL656604 0.81 TRPV1 (0.59) TRPV1
SCHEMBL658653 0.79 TRPV1 (0.55) RBP4TRPA1TRPV1KCNH2TRPM8
SCHEMBL657418 0.78 TRPA1 (0.48) RBP4TRPA1TRPV1KCNH2TRPM8
SCHEMBL657688 0.78 TRPV1 (0.53) RBP4TRPA1TRPV1KCNH2TRPM8
SCHEMBL659862 0.77 TRPV1 (0.47) TRPV1DRD2DRD3
SCHEMBL658262 0.77 TRPV1 (0.57) RBP4TRPA1TRPV1
SCHEMBL13930750 0.77 TRPA1 (0.63) TRPA1TRPV1KCNH2TRPM8CNR2
SCHEMBL12506473 0.76 TRPV1 (0.49) TRPV1
SCHEMBL659112 0.76 TRPV1 (0.50) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606033-A1 SUBSTITUTED CYCLIC CARBOXAMIDE AND UREA DERIVATIVES AS LIGANDS OF THE VANILLOID RECEPTOR Grünenthal GmbH (DE) 2013-06-26 EP claimed
WO-2012022487-A1 SUBSTITUTED CYCLIC CARBOXAMIDE AND UREA DERIVATIVES AS LIGANDS OF THE VANILLOID RECEPTOR Grünenthal GmbH (DE) 2012-02-23 WO claimed
US-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor GRUENENTHAL GMBH (DE) 2012-02-23 US claimed
EP-2606033-A1 SUBSTITUTED CYCLIC CARBOXAMIDE AND UREA DERIVATIVES AS LIGANDS OF THE VANILLOID RECEPTOR Grünenthal GmbH (DE) 2013-06-26 EP disclosed
WO-2012022487-A1 SUBSTITUTED CYCLIC CARBOXAMIDE AND UREA DERIVATIVES AS LIGANDS OF THE VANILLOID RECEPTOR Grünenthal GmbH (DE) 2012-02-23 WO disclosed
US-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor GRUENENTHAL GMBH (DE) 2012-02-23 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 (1 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-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor TRPV1, CNR1, CNR2 RBP4 2327/4885TRPA1 11/4885TRPV1 1/4885

“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.