SCHEMBL1809578

SCHEMBL1809578

Cc1cc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
PRKAA2 P54646 3/20 0.45
FPR2 P25090 1/20 0.45
PROKR1 Q8TCW9 1/20 0.45
HSD11B1 P28845 1/20 0.45
AKR1C3 P42330 1/20 0.44
MGLL Q99685 2/20 0.44
SCD5 Q86SK9 1/20 0.44
HTR2A P28223 1/20 0.43
SCN9A Q15858 1/20 0.43
ABHD6 Q9BV23 1/20 0.43
EPHX2 P34913 1/20 0.42
CFTR P13569 1/20 0.42
RBP4 P02753 1/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM5A P29375 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
SCHEMBL1806854 0.88 HSD11B1 (0.45) MEN1KMT2APRKAA2HSD11B1AKR1C3
SCHEMBL1806210 0.81 SCN9A (0.46) PRKAA2HSD11B1MGLLSCD5SCN9A
SCHEMBL1810730 0.81 HSD11B1 (0.47) MEN1KMT2APRKAA2FPR2HSD11B1
SCHEMBL1806474 0.81 HSD11B1 (0.47) MEN1KMT2APRKAA2HSD11B1MGLL
SCHEMBL1811385 0.80 RBP4 (0.53) PRKAA2SCN9ARBP4
SCHEMBL1809113 0.80 SCN9A (0.47) PRKAA2HSD11B1MGLLSCD5SCN9A
SCHEMBL1807332 0.80 PRKAA2 (0.52) PRKAA2HSD11B1MGLLSCD5SCN9A
SCHEMBL1807311 0.80 HSD11B1 (0.46) MEN1KMT2APRKAA2HSD11B1AKR1C3
SCHEMBL1811053 0.80 HSD11B1 (0.46) MEN1KMT2APRKAA2HSD11B1MGLL
SCHEMBL1809872 0.78 PRKAA2 (0.49) PRKAA2HSD11B1MGLLSCD5SCN9A

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 10 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 claimed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US claimed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 WO claimed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
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
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 WO 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 MEN1 4046/4885KMT2A 1032/4885PLA2G1B 2194/4885

“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.