SCHEMBL659695

SCHEMBL659695

COc1ccc(Cn2nc(C(F)(F)F)cc2CNC(=O)N2CCN(c3ncccc3Cl)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.50
TRPA1 O75762 4/20 0.47
RBP4 P02753 2/20 0.47
CHRM4 P08173 1/20 0.46
TRPV1 Q8NER1 3/20 0.46
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
CDK1 P06493 1/20 0.44
IGF1R P08069 1/20 0.44
FGFR1 P11362 1/20 0.44
BRAF P15056 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR4 P22455 1/20 0.44
FGFR3 P22607 1/20 0.44
JAK1 P23458 1/20 0.44
CDK2 P24941 1/20 0.44
AXL P30530 1/20 0.44
CDK5 Q00535 1/20 0.44
PTK2B Q14289 1/20 0.44
KCNH2 Q12809 1/20 0.43

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
SCHEMBL660079 0.83 TRPA1 (0.45) TRPA1RBP4CHRM4TRPV1KCNH2
SCHEMBL657610 0.79 TRPV1 (0.49) TRPA1RBP4CHRM4TRPV1
SCHEMBL656604 0.78 TRPV1 (0.59) TRPV1
SCHEMBL659112 0.78 TRPV1 (0.50) P2RY12TRPV1
SCHEMBL14423745 0.78 CHRM4 (0.56) P2RY12TRPA1RBP4CHRM4TRPV1
SCHEMBL2686354 0.76 PTGER4 (0.46)
SCHEMBL659468 0.76 CHRM4 (0.47) TRPA1RBP4CHRM4TRPV1KCNH2
SCHEMBL658610 0.73 TRPV1 (0.56) TRPV1
SCHEMBL5064196 0.73 PTGER4 (0.42)
SCHEMBL657593 0.72 TRPA1 (0.52) TRPA1RBP4CHRM4TRPV1KCNH2

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 P2RY12 114/4885TRPA1 11/4885RBP4 2327/4885

“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.