SCHEMBL12563371

SCHEMBL12563371

Cc1ccc(C(C)C)cc1Oc1nc(C(=O)N[C@H](C)c2cc(F)c(C)c(F)c2)co1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 16/20 0.42
NLRP3 Q96P20 1/20 0.40
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL12604716 0.93 PDE2A (0.41) PDE2ANLRP3BCHEACHE
SCHEMBL12563381 0.91 PDE2A (0.41) PDE2ANLRP3
SCHEMBL1987320 0.89 NLRP3 (0.39) PDE2ANLRP3
SCHEMBL12563264 0.87 PDE2A (0.45) PDE2A
SCHEMBL12563253 0.85 PDE2A (0.42) PDE2A
SCHEMBL12563259 0.85 KLKB1 (0.40) PDE2A
SCHEMBL12697437 0.82 PDE2A (0.38) PDE2A
SCHEMBL12563343 0.82 PDE2A (0.40) PDE2A
SCHEMBL12563482 0.81 PDE2A (0.44) PDE2ANLRP3
SCHEMBL12563392 0.80 SCN9A (0.38) PDE2A

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 1 patent. 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

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 403/4885BCHE 3571/4885

“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.