SCHEMBL657688

SCHEMBL657688

CC(C)(C)c1cc(CNC(=O)N2CCN(c3ncccc3Cl)CC2)n(-c2ccc(F)c(Cl)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.53
TRPA1 O75762 1/20 0.49
KCNH2 Q12809 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
RBP4 P02753 1/20 0.46
CNR2 P34972 1/20 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
SCHEMBL655675 0.91 TRPV1 (0.59) TRPV1TRPA1KCNH2TRPM8RBP4
SCHEMBL657593 0.85 TRPA1 (0.52) TRPV1TRPA1KCNH2TRPM8RBP4
SCHEMBL657610 0.85 TRPV1 (0.49) TRPV1TRPA1RBP4
SCHEMBL656604 0.84 TRPV1 (0.59) TRPV1
SCHEMBL658262 0.83 TRPV1 (0.57) TRPV1TRPA1RBP4
SCHEMBL659112 0.82 TRPV1 (0.50) TRPV1
SCHEMBL660311 0.79 TRPV1 (0.62) TRPV1
SCHEMBL659591 0.79 TRPV1 (0.62) TRPV1
SCHEMBL658832 0.78 TRPV1 (0.64) TRPV1
SCHEMBL657835 0.78 RBP4 (0.52) TRPV1TRPA1KCNH2TRPM8RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TRPV1 1/4885TRPA1 11/4885KCNH2 655/4885

“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.