SCHEMBL3779128

SCHEMBL3779128

O=C(O)c1c(C(F)(F)F)ccnc1CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.45
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
KMO O15229 1/20 0.41
NR3C2 P08235 2/20 0.40
KDM5A P29375 2/20 0.39
KDM5B Q9UGL1 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
DAO P14920 1/20 0.38
PLK1 P53350 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
ASPH Q12797 1/20 0.37
KDM8 Q8N371 1/20 0.37
CES1 P23141 5/20 0.37
FAAH O00519 4/20 0.37
KDM4C Q9H3R0 1/20 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
SCHEMBL3779104 0.78 KDM4E (0.45) KDM4EPOLBGAAKMONR3C2
SCHEMBL15774523 0.75 KDM5A (0.37) GAAKMOKDM5AKDM5BMRGPRX4
SCHEMBL3779105 0.74 KDM4E (0.41) KDM4EGAAHSD17B10
SCHEMBL30639443 0.73 DAO (0.40) NR3C2DAO
SCHEMBL10884107 0.73 TRPV1 (0.46) POLBKMOHTTHSD17B10
SCHEMBL1699267 0.72 NAPRT (0.43) KDM4EKMODAOASPHKDM8
SCHEMBL14907699 0.70 KMO (0.41) KDM4EKMODAOASPHKDM8
SCHEMBL15880100 0.70 HSD17B10 (0.43) KDM4EKMOASPHKDM8HTT
SCHEMBL148901 0.70 AAK1 (0.44) KDM4EKMOASPHKDM8HTT
SCHEMBL30613704 0.70 KMO (0.43) KDM4EPOLBKMOKDM5AKDM5B

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 P2RX3 23/4885KDM4E 4638/4885POLB 4833/4885

“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.