SCHEMBL953715

SCHEMBL953715

O=C(O)c1ccc(C(F)(F)F)cc1OCC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 3/20 0.60
SCN10A Q9Y5Y9 3/20 0.60
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
USP2 O75604 1/20 0.52
CYP2C19 P33261 1/20 0.52
PTGER1 P34995 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.50
LIPG Q9Y5X9 4/20 0.49
LPL P06858 1/20 0.49
PARP10 Q53GL7 4/20 0.49
PARP15 Q460N3 3/20 0.47
LIPC P11150 2/20 0.47
MGLL Q99685 1/20 0.47
PTGES O14684 1/20 0.45
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
XDH P47989 1/20 0.42

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
SCHEMBL954954 0.88 SCN8A (0.58) SCN8ASCN10APTGER1PTGDR2LIPG
SCHEMBL954415 0.83 SCN8A (0.53) SCN8ASCN10APTGER1PTGDR2PARP10
SCHEMBL955835 0.80 SCN8A (0.48) SCN8ASCN10APTGER1PTGDR2LIPG
SCHEMBL955834 0.80 SCN8A (0.48) SCN8ASCN10APTGER1PTGDR2LIPG
SCHEMBL3784235 0.78 KDM4E (0.63) SCN8ASCN10AKDM4EALDH1A1HPGD
SCHEMBL2924380 0.76 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL954464 0.76 HSD17B10 (0.66) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL1388095 0.76 FAAH (0.60) KDM4EALDH1A1PTGDR2PARP10PARP15
SCHEMBL22809676 0.76 SCN8A (0.48) SCN8ASCN10APTGER1PTGDR2LIPG
SCHEMBL20325949 0.76 PARP10 (0.57) SCN8ASCN10AHPGDPARP10PARP15

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 209/4885KDM4E 4650/4885
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 209/4885KDM4E 4650/4885

“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.