SCHEMBL15313833

SCHEMBL15313833

CCCCc1cc(C(F)(F)F)cc(CCCC)c1/C=C/C(=O)N[C@H](C)c1cc(F)c(C)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.39
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
TDP1 Q9NUW8 1/20 0.33
MCHR1 Q99705 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
PDE2A O00408 1/20 0.32
PPARG P37231 1/20 0.32
KCNQ2 O43526 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL12912619 0.94 TRPV1 (0.37) TRPV1NOS3NOS1NOS2TDP1
SCHEMBL12912599 0.94 NOS3 (0.36) TRPV1NOS3NOS1NOS2TDP1
SCHEMBL12912622 0.91 NOS3 (0.38) NOS3NOS1NOS2TDP1UTS2R
SCHEMBL3362495 0.88 TRPV1 (0.45) TRPV1
SCHEMBL954566 0.88 TRPV1 (0.45) TRPV1
SCHEMBL954563 0.88 TRPV1 (0.45) TRPV1
SCHEMBL954564 0.88 TRPV1 (0.45) TRPV1
SCHEMBL12912642 0.87 TRPV1 (0.41) TRPV1NOS3NOS1NOS2MCHR1
SCHEMBL12946132 0.86 TRPV1 (0.43) TRPV1
SCHEMBL3364479 0.82 TRPV1 (0.41) TRPV1

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-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

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-20140011881-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 TRPV1 1/4885NOS3 2298/4885NOS1 1429/4885

“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.