SCHEMBL1659598

SCHEMBL1659598

CC(NC(=O)c1coc(Oc2cccc3c2CCCC3)n1)c1cc(F)c(NS(C)(=O)=O)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNQ4 P56696 1/20 0.34
KCNQ5 Q9NR82 1/20 0.34
NLRP3 Q96P20 3/20 0.34
IDO1 P14902 1/20 0.33
PDE2A O00408 3/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
ACACB O00763 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 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
SCHEMBL12697445 1.00 SCN9A (0.40) SCN9AMEN1HTTKMT2AKCNQ3
SCHEMBL12563392 0.89 SCN9A (0.38) SCN9AMEN1HTTKMT2AIDO1
SCHEMBL1661095 0.88 KCNQ3 (0.33) SCN9AKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL12521197 0.88 SCN9A (0.38) SCN9AMEN1HTTKMT2AIDO1
SCHEMBL1660607 0.87 PDE2A (0.36) KCNQ3KCNQ2KCNQ4KCNQ5PDE2A
SCHEMBL12604717 0.87 PDE2A (0.36) KCNQ3KCNQ2KCNQ4KCNQ5PDE2A
SCHEMBL12604702 0.86 KCNQ3 (0.34) KCNQ3KCNQ2KCNQ4KCNQ5PDE2A
SCHEMBL1988476 0.86 KCNQ3 (0.34) KCNQ3KCNQ2KCNQ4KCNQ5PDE2A
SCHEMBL12605015 0.85 PDE2A (0.36) KCNQ3KCNQ2KCNQ4KCNQ5PDE2A
SCHEMBL1986580 0.85 PDE2A (0.36) KCNQ3KCNQ2KCNQ4KCNQ5PDE2A

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
US-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-06-23 US claimed
EP-2509793-A1 MARKING BASED ON MODIFIED CHIRAL LIQUID CRYSTAL POLYMERS SICPA Holding SA (CH) 2012-10-17 EP disclosed
US-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-06-23 US disclosed
WO-2011069692-A1 MARKING BASED ON MODIFIED CHIRAL LIQUID CRYSTAL POLYMERS SICPA HOLDING SA (CH) 2011-06-16 WO disclosed
EP-2307394-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2011-04-13 EP 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-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 SCN9A 262/4885MEN1 1228/4885HTT 2827/4885

“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.