SCHEMBL12563286

SCHEMBL12563286

Cc1c(F)cc([C@@H](C)NC(=O)c2coc(Oc3cccc(Cl)c3)n2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.43
PTGER2 P43116 2/20 0.41
KLKB1 P03952 1/20 0.40
PDE2A O00408 8/20 0.39
MME P08473 2/20 0.38
ROCK2 O75116 1/20 0.37
THRB P10828 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 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
SCHEMBL12605005 0.92 PTGER4 (0.42) PTGER4PTGER2KLKB1PDE2AMME
SCHEMBL12563259 0.90 KLKB1 (0.40) KLKB1PDE2AROCK2KCNQ3KCNQ2
SCHEMBL12563373 0.90 KLKB1 (0.42) KLKB1PDE2AROCK2KCNQ3KCNQ2
SCHEMBL12563404 0.89 KLKB1 (0.40) KLKB1PDE2AROCK2KCNQ3KCNQ2
SCHEMBL12563285 0.89 KLKB1 (0.40) KLKB1PDE2AKCNQ3KCNQ2KCNQ4
SCHEMBL1987453 0.88 PTGER4 (0.40) PTGER4PTGER2KLKB1PDE2AMME
SCHEMBL12697481 0.88 PTGER4 (0.40) PTGER4PTGER2KLKB1PDE2AMME
SCHEMBL12563252 0.87 PTGER4 (0.46) PTGER4PTGER2KLKB1PDE2AKCNQ3
SCHEMBL12563250 0.87 PDE2A (0.41) PTGER4PTGER2KLKB1PDE2A
SCHEMBL12563326 0.87 PDE2A (0.41) KLKB1PDE2AMME

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 PTGER4 306/4885PTGER2 215/4885KLKB1 1293/4885

“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.