SCHEMBL3779292

SCHEMBL3779292

O=C(O)/C=C/c1ccc(C(F)(F)F)nc1NC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.43
KDM4E B2RXH2 1/20 0.39
PTGS2 P35354 4/20 0.38
TRPV1 Q8NER1 3/20 0.38
IDH1 O75874 1/20 0.38
PTGS1 P23219 2/20 0.37
MCHR2 Q969V1 1/20 0.35
MCHR1 Q99705 1/20 0.35
MERTK Q12866 1/20 0.35
ULK1 O75385 1/20 0.35

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
SCHEMBL3779294 1.00 TLR7 (0.43) TLR7KDM4EPTGS2TRPV1IDH1
SCHEMBL12936977 0.80 NPC1 (0.42) TLR7KDM4EMERTK
SCHEMBL3785347 0.80 TLR7 (0.41) TLR7KDM4ETRPV1IDH1MCHR1
SCHEMBL3785344 0.80 TLR7 (0.41) TLR7KDM4ETRPV1IDH1MCHR1
SCHEMBL13063285 0.79 TRPV1 (0.41) KDM4ETRPV1
SCHEMBL3787447 0.76 RHOA (0.42) KDM4ETRPV1
SCHEMBL3772734 0.76 TRPV1 (0.39) KDM4ETRPV1MCHR1
SCHEMBL3787445 0.76 RHOA (0.42) KDM4ETRPV1
SCHEMBL3772730 0.76 TRPV1 (0.39) KDM4ETRPV1MCHR1
SCHEMBL3779356 0.76 TRPV1 (0.39) KDM4ETRPV1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 TLR7 787/4885KDM4E 4638/4885PTGS2 383/4885

“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.