SCHEMBL3787447

SCHEMBL3787447

O=C(O)C=Cc1ccc(C(F)(F)F)nc1Nc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOA P61586 4/20 0.42
MAOB P27338 1/20 0.42
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
NFKB1 P19838 1/20 0.39
CA4 P22748 1/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SYK P43405 3/20 0.37

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
SCHEMBL3787445 1.00 RHOA (0.42) RHOAMAOBGSK3AGSK3BTRPV1
SCHEMBL3784986 0.84 TRPV1 (0.40) TRPV1RXRARXRBRXRGMEN1
SCHEMBL3784989 0.84 TRPV1 (0.40) TRPV1RXRARXRBRXRGMEN1
SCHEMBL13063285 0.82 TRPV1 (0.41) RHOATRPV1CA1CA2NFKB1
SCHEMBL3776978 0.81 FABP4 (0.43) TRPV1LMNAALDH1A1
SCHEMBL3776976 0.81 FABP4 (0.43) TRPV1LMNAALDH1A1
SCHEMBL3785347 0.80 TLR7 (0.41) TRPV1CA1CA2NFKB1CA4
SCHEMBL3785344 0.80 TLR7 (0.41) TRPV1CA1CA2NFKB1CA4
SCHEMBL848658 0.80 NPC1 (0.42) MAOBGSK3AGSK3BTRPV1NFKB1
SCHEMBL3772730 0.79 TRPV1 (0.39) TRPV1RXRARXRBRXRGMEN1

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 RHOA 4827/4885MAOB 2961/4885GSK3A 3864/4885

“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.