SCHEMBL3776978

SCHEMBL3776978

O=C(O)C=Cc1ccc(C(F)(F)F)nc1NCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.43
TRPV1 Q8NER1 1/20 0.41
HDAC4 P56524 2/20 0.41
MEF2D Q14814 2/20 0.41
USP1 O94782 1/20 0.40
WDR48 Q8TAF3 1/20 0.40
PTGS2 P35354 4/20 0.40
PTGS1 P23219 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACHE P22303 3/20 0.39
APP P05067 2/20 0.39
VNN1 O95497 1/20 0.39
PDE5A O76074 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3776976 1.00 FABP4 (0.43) FABP4TRPV1HDAC4MEF2DUSP1
SCHEMBL3772734 0.84 TRPV1 (0.39) TRPV1ALDH1A1
SCHEMBL3772730 0.84 TRPV1 (0.39) TRPV1ALDH1A1
SCHEMBL3784106 0.81 TLR7 (0.42) TRPV1PTGS2ALDH1A1APP
SCHEMBL3784107 0.81 TLR7 (0.42) TRPV1PTGS2ALDH1A1APP
SCHEMBL3787445 0.81 RHOA (0.42) TRPV1ALDH1A1LMNA
SCHEMBL3787447 0.81 RHOA (0.42) TRPV1ALDH1A1LMNA
SCHEMBL3781940 0.81 KDM4E (0.43) TRPV1PTGS2PTGS1ALDH1A1
SCHEMBL3781944 0.81 KDM4E (0.43) TRPV1PTGS2PTGS1ALDH1A1
SCHEMBL13063285 0.79 TRPV1 (0.41) TRPV1ALDH1A1LMNA

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 5 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
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
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 FABP4 2134/4885TRPV1 1/4885HDAC4 3237/4885

“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.