SCHEMBL12099705

SCHEMBL12099705

CCOc1ccc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 8/20 0.54
MAPK7 Q13164 1/20 0.49
EPHX2 P34913 1/20 0.46
SCN9A Q15858 2/20 0.43
MGLL Q99685 2/20 0.43
ABHD6 Q9BV23 1/20 0.43
HSD11B1 P28845 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
LIPE Q05469 1/20 0.42
SCD5 Q86SK9 1/20 0.42

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
SCHEMBL1806239 0.85 PRKAA2 (0.47) PRKAA2MAPK7EPHX2SCN9AMGLL
SCHEMBL1809872 0.82 PRKAA2 (0.49) PRKAA2MAPK7EPHX2SCN9AMGLL
SCHEMBL1811385 0.80 RBP4 (0.53) PRKAA2SCN9A
SCHEMBL1810730 0.78 HSD11B1 (0.47) PRKAA2EPHX2SCN9AMGLLABHD6
SCHEMBL1806474 0.78 HSD11B1 (0.47) PRKAA2MAPK7EPHX2SCN9AMGLL
SCHEMBL1806631 0.78 PRKAA2 (0.45) PRKAA2EPHX2SCN9AMGLLABHD6
SCHEMBL1809578 0.78 MEN1 (0.47) PRKAA2EPHX2SCN9AMGLLABHD6
SCHEMBL1806858 0.78 HSD11B1 (0.52) PRKAA2MAPK7EPHX2SCN9AMGLL
SCHEMBL1809113 0.78 SCN9A (0.47) PRKAA2MAPK7EPHX2SCN9AMGLL
SCHEMBL1813141 0.77 PRKAA2 (0.46) PRKAA2EPHX2SCN9AMGLLHSD11B1

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-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B PRKAA2 3288/4885MAPK7 2820/4885EPHX2 2869/4885

“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.