SCHEMBL657576

SCHEMBL657576

CC(C)(C)c1nc(C(OC(N)=O)c2ccccc2)n(-c2cccc(Cl)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
PKM P14618 1/20 0.37
PPP1CA P62136 1/20 0.37
GAA P10253 1/20 0.37
PLK1 P53350 1/20 0.37
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
MPO P05164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CASR P41180 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL657256 0.84 GAA (0.39) TRPV1PKMPPP1CAGAACA2
SCHEMBL657904 0.83 TRPV1 (0.46) TRPV1GRNSORT1GAAMAPK13
SCHEMBL657732 0.74 TRPV1 (0.44) TRPV1PKMGAAPLK1ALDH1A1
SCHEMBL660095 0.74 MAPK14 (0.48) GRNSORT1GAAMAPK13MAPK12
SCHEMBL659071 0.72 KCNJ6 (0.49) TRPV1PKMGAALMNATP53
SCHEMBL659101 0.72 TRPV1 (0.42) TRPV1GRNSORT1GAAALDH1A1
SCHEMBL12506473 0.70 TRPV1 (0.49) TRPV1PKM
SCHEMBL12506475 0.69 PKM (0.43) TRPV1GRNSORT1PKMPPP1CA
SCHEMBL10093696 0.68 TRPV1 (0.41) TRPV1PKMGAAMPOALDH1A1
SCHEMBL659630 0.68 KLKB1 (0.49) KDM4EALDH1A1MAPK13MAPK12MAPK11

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.