SCHEMBL1811264

SCHEMBL1811264

Cn1cc2ccc(C(=O)N3CCC(Oc4cccc(OC(F)(F)F)c4)CC3)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.50
MGLL Q99685 3/20 0.49
SCN9A Q15858 1/20 0.46
MAPK7 Q13164 1/20 0.46
HRH3 Q9Y5N1 7/20 0.45
PRKAA2 P54646 1/20 0.43
HTR2B P41595 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CACNA1B Q00975 1/20 0.42
GHSR Q92847 1/20 0.42
SLC6A7 Q99884 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
SCHEMBL12099637 0.88 HSD11B1 (0.40) HSD11B1MGLLSCN9AMAPK7HRH3
SCHEMBL12188757 0.87 HRH3 (0.48) MGLLHRH3KMT2AMEN1
SCHEMBL1806136 0.81 HRH3 (0.49) MGLLHRH3KMT2A
SCHEMBL1810576 0.79 HSD11B1 (0.46) HSD11B1MGLLSCN9AMAPK7HRH3
SCHEMBL1809573 0.79 HSD11B1 (0.53) HSD11B1MGLLSCN9AMAPK7HRH3
SCHEMBL1808768 0.78 HSD11B1 (0.56) HSD11B1MGLLKMT2AMEN1CACNA1B
SCHEMBL1806858 0.78 HSD11B1 (0.52) HSD11B1MGLLSCN9AMAPK7PRKAA2
SCHEMBL1806739 0.78 HSD11B1 (0.53) HSD11B1MGLLSCN9AMAPK7PRKAA2
SCHEMBL1810939 0.78 HSD11B1 (0.52) HSD11B1MGLLSCN9AMAPK7KMT2A
SCHEMBL1808027 0.78 HSD11B1 (0.45) HSD11B1MGLLSCN9AMAPK7PRKAA2

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 9 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
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 2985/4885MGLL 4513/4885SCN9A 20/4885

“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.