SCHEMBL2957672

SCHEMBL2957672

C=Cc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1N

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNA1C Q13936 1/20 0.42
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GRM2 Q14416 1/20 0.36
KDM4A O75164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HDAC1 Q13547 2/20 0.35
NAMPT P43490 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
NSD2 O96028 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
GAA P10253 1/20 0.33
GLS O94925 1/20 0.33
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL2956938 0.86 GRM2 (0.39) CACNA1HCACNA1BCACNA1CGRM2KDM4A
SCHEMBL2948900 0.85 NSD2 (0.40) LMNAGRM2KDM4AL3MBTL1HDAC1
SCHEMBL2956194 0.83 TSHR (0.41) POLBGRM2KDM4AL3MBTL1HDAC1
SCHEMBL2955363 0.82 CACNA1H (0.44) CACNA1HCACNA1BCACNA1CLMNAPOLB
SCHEMBL2953354 0.81 CACNA1H (0.39) CACNA1HCACNA1BCACNA1CLMNAPOLB
SCHEMBL2959315 0.78 HDAC1 (0.43) GRM2KDM4AL3MBTL1HDAC1NAMPT
SCHEMBL29726447 0.77 CACNA1H (0.46) CACNA1HCACNA1BCACNA1CLMNAPOLB
SCHEMBL31432339 0.76 KDM4A (0.44) LMNAGRM2KDM4AL3MBTL1HDAC1
SCHEMBL23418026 0.74 GRM2 (0.44) CACNA1HCACNA1BCACNA1CLMNAGRM2
SCHEMBL4373210 0.74 CACNA1H (0.46) CACNA1HCACNA1BCACNA1CLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861357-B1 NOVEL COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2013-04-24 EP disclosed
CN-101142174-B Novel compound as vanilloid receptor antagonist, isomer thereof or pharmaceutically acceptable salt thereof, and pharmaceutical composition comprising the same AMOREPACIFIC CORP 2012-05-09 CN disclosed
US-7763657-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-07-27 US disclosed
US-20090105258-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2009-04-23 US disclosed
CN-101142174-A Novel compounds as vanilloid receptor antagonists, isomers thereof or pharmaceutically acceptable salts thereof; and pharmaceutical compositions comprising the same AMOREPACIFIC CORP (KR) 2008-03-12 CN disclosed
WO-2007142426-A1 NOVEL COMPOUNDS, ISOMER THEREOF OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2007-12-13 WO disclosed
EP-1862454-A1 Novel compounds, isomer thereof or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and a pharmaceutical composition containing the same Amorepacific Corporation (KR) 2007-12-05 EP disclosed
EP-1861357-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2007-12-05 EP disclosed
WO-2006101318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2006-09-28 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-20090105258-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, VIPR1 CACNA1H 208/4885CACNA1B 353/4885CACNA1C 421/4885

“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.