SCHEMBL657418

SCHEMBL657418

O=C(NCc1cc(C2CC2)nn1-c1cccc(Cl)c1)N1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.48
CHRM4 P08173 1/20 0.47
MALT1 Q9UDY8 1/20 0.47
TRPV1 Q8NER1 3/20 0.46
RBP4 P02753 1/20 0.46
EPHX2 P34913 3/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP2J2 P51589 1/20 0.43
KCNH2 Q12809 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42

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
SCHEMBL656604 0.85 TRPV1 (0.59) TRPV1
SCHEMBL655675 0.85 TRPV1 (0.59) TRPA1TRPV1RBP4KCNH2TRPM8
SCHEMBL657835 0.78 RBP4 (0.52) TRPA1CHRM4TRPV1RBP4KCNH2
SCHEMBL659112 0.78 TRPV1 (0.50) TRPV1
SCHEMBL12506454 0.77 TRPV1 (0.57) TRPV1
SCHEMBL658426 0.77 TRPV1 (0.55) TRPA1TRPV1RBP4
SCHEMBL657610 0.77 TRPV1 (0.49) TRPA1CHRM4TRPV1RBP4
SCHEMBL658653 0.76 TRPV1 (0.55) TRPA1CHRM4TRPV1RBP4KCNH2
SCHEMBL657688 0.76 TRPV1 (0.53) TRPA1TRPV1RBP4KCNH2TRPM8
SCHEMBL658262 0.76 TRPV1 (0.57) TRPA1TRPV1RBP4

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 TRPA1 11/4885CHRM4 229/4885MALT1 2810/4885

“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.