SCHEMBL657256

SCHEMBL657256

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
TRPV1 Q8NER1 8/20 0.38
MPO P05164 1/20 0.37
PKM P14618 1/20 0.37
PPP1CA P62136 1/20 0.37
MAPK14 Q16539 2/20 0.36
SRC P12931 1/20 0.36
DDR2 Q16832 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
RIPK2 O43353 1/20 0.36
HTT P42858 1/20 0.36
AVPR2 P30518 1/20 0.35
AVPR1A P37288 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
SCHEMBL657576 0.84 TRPV1 (0.38) GAATRPV1MPOPKMPPP1CA
SCHEMBL657904 0.71 TRPV1 (0.46) GAATRPV1MAPK14SRCDDR2
SCHEMBL12506473 0.70 TRPV1 (0.49) TRPV1PKM
SCHEMBL10093696 0.70 TRPV1 (0.41) GAATRPV1MPOPKMMAPK14
SCHEMBL10186767 0.70 TRPV1 (0.46) TRPV1
Hydrochloric Acid SCHEMBL656099 0.69 TRPV1 (0.40) GAATRPV1MPOPKMMAPK14
SCHEMBL12506475 0.69 PKM (0.43) GAATRPV1PKMPPP1CAMAPK14
SCHEMBL10093694 0.67 TRPV1 (0.44) TRPV1
SCHEMBL670630 0.66 TRPV1 (0.40) GAATRPV1PKMPPP1CAHTT
SCHEMBL1012342 0.64 MAPK14 (0.50) GAATRPV1PKMMAPK14SRC

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 GAA 4048/4885TRPV1 1/4885MPO 4039/4885

“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.