SCHEMBL1660174

SCHEMBL1660174

CC(C)c1ccc(I)c(Oc2nc(C(=O)NC(C)c3cc(F)c(NS(C)(=O)=O)c(F)c3)co2)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 15/20 0.36
NLRP3 Q96P20 1/20 0.35
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33

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
SCHEMBL12604119 1.00 PDE2A (0.36) PDE2ANLRP3KCNQ3KCNQ2KCNQ4
SCHEMBL1987320 0.91 NLRP3 (0.39) PDE2ANLRP3KCNQ3KCNQ2KCNQ4
SCHEMBL12604721 0.90 PDE2A (0.39) PDE2AKCNQ3KCNQ2
SCHEMBL12563381 0.88 PDE2A (0.41) PDE2ANLRP3
SCHEMBL12603593 0.87 PDE2A (0.39) PDE2AKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL12697437 0.87 PDE2A (0.38) PDE2A
SCHEMBL1986283 0.87 PDE2A (0.39) PDE2AKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL1986370 0.85 KCNQ3 (0.37) PDE2AKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL12697429 0.85 KCNQ3 (0.37) PDE2AKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL12603590 0.85 KCNQ3 (0.41) KCNQ3KCNQ2KCNQ4KCNQ5

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-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
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 PDE2A 1939/4885NLRP3 403/4885KCNQ3 364/4885

“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.