SCHEMBL1660607

SCHEMBL1660607

CC1CCCc2c(Oc3nc(C(=O)NC(C)c4cc(F)c(NS(C)(=O)=O)c(F)c4)co3)cccc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.36
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
TRPV1 Q8NER1 2/20 0.32
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
TAS1R2 Q8TE23 2/20 0.31
PTK2 Q05397 1/20 0.31
BACE1 P56817 3/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL12604717 1.00 PDE2A (0.36) PDE2AKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL1986580 0.96 PDE2A (0.36) PDE2AKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL12605015 0.96 PDE2A (0.36) PDE2AKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL12563342 0.90 PDE2A (0.40) PDE2ATAS1R3TAS1R1TAS1R2PTK2
SCHEMBL12521278 0.89 TRPV1 (0.31) TRPV1
SCHEMBL1989552 0.88 PDE2A (0.35) PDE2AKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL1987794 0.88 PDE2A (0.35) PDE2AKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL12603603 0.88 PDE2A (0.35) PDE2AKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL12604073 0.88 PDE2A (0.35) PDE2AKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL12697445 0.87 SCN9A (0.40) PDE2AKCNQ3KCNQ2KCNQ4KCNQ5

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 3 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
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 1939/4885KCNQ3 364/4885KCNQ2 398/4885

“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.