SCHEMBL657904

SCHEMBL657904

CC(C)(C)c1cc(C(OC(N)=O)c2ccccc2)n(-c2cccc(Cl)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.46
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
MAPK14 Q16539 9/20 0.43
MAPK13 O15264 5/20 0.43
MAPK12 P53778 5/20 0.43
MAPK11 Q15759 5/20 0.43
GAA P10253 1/20 0.43
DDR2 Q16832 3/20 0.42
SRC P12931 1/20 0.42
JAK2 O60674 1/20 0.41
MAPK9 P45984 1/20 0.41

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
SCHEMBL660095 0.90 MAPK14 (0.48) GRNSORT1MAPK14MAPK13MAPK12
SCHEMBL659101 0.88 TRPV1 (0.42) TRPV1GRNSORT1MAPK14MAPK13
SCHEMBL657576 0.83 TRPV1 (0.38) TRPV1GRNSORT1MAPK14MAPK13
SCHEMBL659630 0.80 KLKB1 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL659071 0.80 KCNJ6 (0.49) TRPV1GAA
SCHEMBL657753 0.80 MAPK14 (0.43) TRPV1GRNSORT1MAPK14MAPK13
SCHEMBL287372 0.78 TRPV1 (0.49) TRPV1GRNSORT1MAPK14MAPK13
SCHEMBL25510561 0.76 TRPV1 (0.47) TRPV1GRNSORT1MAPK14MAPK13
SCHEMBL657732 0.76 TRPV1 (0.44) TRPV1GAA
SCHEMBL2787544 0.73 GRN (0.76) TRPV1GRNSORT1MAPK14MAPK13

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 1 patent. 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 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 1/4885GRN 4603/4885SORT1 4801/4885

“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.