SCHEMBL955296

SCHEMBL955296

COC(=O)C=Cc1ccc(C(F)(F)F)cc1OCC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.48
SCN10A Q9Y5Y9 2/20 0.48
PTGER1 P34995 1/20 0.44
MGLL Q99685 1/20 0.43
CYP1A1 P04798 4/20 0.41
CYP1B1 Q16678 4/20 0.41
CSNK1D P48730 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
TSHR P16473 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
ENPP2 Q13822 1/20 0.40
PDE4B Q07343 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 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
SCHEMBL955295 1.00 SCN8A (0.48) SCN8ASCN10APTGER1MGLLCYP1A1
SCHEMBL955834 0.88 SCN8A (0.48) SCN8ASCN10APTGER1MGLLCYP1A1
SCHEMBL955835 0.88 SCN8A (0.48) SCN8ASCN10APTGER1MGLLCYP1A1
SCHEMBL953703 0.82 CYP1A1 (0.56) CYP1A1CYP1B1ALDH1A1LMNAGAA
SCHEMBL953704 0.82 CYP1A1 (0.56) CYP1A1CYP1B1ALDH1A1LMNAGAA
SCHEMBL955077 0.80 CYP1A1 (0.57) CYP1A1CYP1B1ALDH1A1LMNAGAA
SCHEMBL955075 0.80 CYP1A1 (0.57) CYP1A1CYP1B1ALDH1A1LMNAGAA
SCHEMBL22809676 0.79 SCN8A (0.48) SCN8ASCN10APTGER1MGLLCSNK1D
SCHEMBL12912723 0.79 SCN8A (0.40) SCN8ASCN10APTGER1MGLLCSNK1D
SCHEMBL954418 0.79 CYP1A1 (0.53) CYP1A1CYP1B1PTGDR2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238105-B1 NOVEL COMPOUNDS AS VANILLOID RECEPTOR ANTAGONISTS AMOREPACIFIC CORP (KR) 2014-04-16 EP disclosed
US-20140011881-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2014-01-09 US disclosed
US-8557872-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2013-10-15 US disclosed
US-20110015230-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-01-20 US disclosed
EP-2238105-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2010-10-13 EP disclosed
WO-2009096701-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2009-08-06 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 (2 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-20140011881-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 SCN8A 303/4885SCN10A 209/4885PTGER1 43/4885
US-20110015230-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 SCN8A 303/4885SCN10A 209/4885PTGER1 43/4885

“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.