SCHEMBL1810173

SCHEMBL1810173

O=C(c1cccc2c(O)ccnc12)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
EPHX2 P34913 1/20 0.42
MGLL Q99685 4/20 0.41
SCN9A Q15858 1/20 0.41
MAPK7 Q13164 4/20 0.41
ABHD6 Q9BV23 1/20 0.40
SLC6A7 Q99884 1/20 0.40
PRKAA2 P54646 3/20 0.40
CHRM2 P08172 1/20 0.40
ACACB O00763 1/20 0.39

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
SCHEMBL1809184 0.86 CHRM2 (0.52) HSD11B1MGLLSCN9AABHD6SLC6A7
SCHEMBL1808089 0.83 HCRTR1 (0.45) HSD11B1EPHX2MGLLSCN9AMAPK7
SCHEMBL1810310 0.79 PDE4A (0.45) HSD11B1EPHX2MGLLSCN9AABHD6
SCHEMBL1808552 0.79 TRPV1 (0.49) HSD11B1MGLLSCN9AMAPK7ABHD6
SCHEMBL1811625 0.79 HTR2A (0.44) HSD11B1EPHX2MGLLSCN9AMAPK7
SCHEMBL1811257 0.77 PRKAA2 (0.49) HSD11B1EPHX2MGLLSCN9AABHD6
SCHEMBL1810221 0.77 HSD11B1 (0.52) HSD11B1EPHX2MGLLSCN9AMAPK7
SCHEMBL1807847 0.77 HSD11B1 (0.47) HSD11B1EPHX2MGLLSCN9AMAPK7
SCHEMBL1812892 0.77 MGLL (0.47) HSD11B1MGLLSCN9AMAPK7ABHD6
SCHEMBL1807589 0.76 SCN9A (0.46) HSD11B1MGLLSCN9AMAPK7ABHD6

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 HSD11B1 2985/4885EPHX2 2869/4885MGLL 4513/4885

“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.