SCHEMBL3786797

SCHEMBL3786797

CCCCc1nc(C(F)(F)F)ccc1C#CC(=O)NCc1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.44
KDM4E B2RXH2 1/20 0.41
PPARA Q07869 1/20 0.41
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
GHSR Q92847 1/20 0.38

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
SCHEMBL3787310 0.88 TRPV1 (0.49) TRPV1
SCHEMBL3778618 0.87 EPHX2 (0.49) TRPV1EPHX2NR1H4
SCHEMBL3771183 0.85 TRPV1 (0.46) TRPV1
SCHEMBL13063039 0.82 EPHX2 (0.49) TRPV1KDM4EPPARAEPHX2NR1H4
SCHEMBL13018266 0.77 TRPV1 (0.53) TRPV1
SCHEMBL4553400 0.77 TRPV1 (0.53) TRPV1
SCHEMBL3784956 0.75 GABRP (0.37) TRPV1KDM4E
SCHEMBL13018274 0.74 TRPV1 (0.63) TRPV1
SCHEMBL13018258 0.73 TRPV1 (0.44) TRPV1PPARAEPHX2NR1H4
SCHEMBL3778619 0.73 TRPV1 (0.44) TRPV1PPARAEPHX2NR1H4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054411-B1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2014-08-20 EP disclosed
US-7858621-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-12-28 US disclosed
US-7858621-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-12-28 US disclosed
EP-2054411-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2009-05-06 EP disclosed
US-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-12-18 US disclosed
US-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-12-18 US disclosed
WO-2008013414-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-01-31 WO 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-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 TRPV1 1/4885KDM4E 4638/4885PPARA 2464/4885

“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.