SCHEMBL1812892

SCHEMBL1812892

O=C(c1cc(O)c2ccccc2n1)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.47
SCD5 Q86SK9 1/20 0.46
HSD11B1 P28845 1/20 0.43
PRKAA2 P54646 3/20 0.42
HTR2B P41595 1/20 0.42
SCN9A Q15858 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MAPK7 Q13164 1/20 0.41
ABHD6 Q9BV23 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL1808552 0.85 TRPV1 (0.49) MGLLSCD5HSD11B1HTR2BSCN9A
SCHEMBL1807862 0.82 HSD11B1 (0.45) MGLLSCD5HSD11B1PRKAA2HTR2B
SCHEMBL1806474 0.82 HSD11B1 (0.47) MGLLSCD5HSD11B1PRKAA2SCN9A
SCHEMBL1805598 0.81 SCD5 (0.50) SCD5HRH3
SCHEMBL1810226 0.81 HRH3 (0.47) PRKAA2SCN9AHRH3
SCHEMBL1810730 0.80 HSD11B1 (0.47) MGLLSCD5HSD11B1PRKAA2SCN9A
SCHEMBL1811053 0.79 HSD11B1 (0.46) MGLLSCD5HSD11B1PRKAA2SCN9A
SCHEMBL1808027 0.79 HSD11B1 (0.45) MGLLSCD5HSD11B1PRKAA2HTR2B
SCHEMBL1806631 0.78 PRKAA2 (0.45) MGLLSCD5HSD11B1PRKAA2SCN9A
SCHEMBL1809113 0.78 SCN9A (0.47) MGLLSCD5HSD11B1PRKAA2SCN9A

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 MGLL 4513/4885SCD5 2324/4885HSD11B1 2985/4885

“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.