SCHEMBL12563392

SCHEMBL12563392

Cc1c(F)cc([C@@H](C)NC(=O)c2coc(Oc3cccc4c3CCCC4)n2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
PDE2A O00408 8/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
RXRA P19793 2/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.34
KLKB1 P03952 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL1659598 0.89 SCN9A (0.40) SCN9APDE2AMEN1HTTKMT2A
SCHEMBL12697445 0.89 SCN9A (0.40) SCN9APDE2AMEN1HTTKMT2A
SCHEMBL12563339 0.87 PDE2A (0.36) PDE2AALDH1A1MAPK1KLKB1
SCHEMBL12563342 0.86 PDE2A (0.40) PDE2AKLKB1ACACB
SCHEMBL12563325 0.85 PDE2A (0.37) PDE2AMAPK1
SCHEMBL12563329 0.84 PDE2A (0.41) PDE2AACACB
SCHEMBL12563334 0.82 MAPT (0.41) PDE2AMEN1KMT2AALDH1A1LMNA
SCHEMBL12563400 0.82 PDE2A (0.40) PDE2AACACB
SCHEMBL12563340 0.82 PDE2A (0.40) PDE2AACACB
SCHEMBL12563253 0.82 PDE2A (0.42) 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 SCN9A 262/4885PDE2A 1939/4885MEN1 1228/4885

“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.