SCHEMBL1807553

SCHEMBL1807553

O=C(c1ccc2ccccc2n1)N1CCC(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 8/20 0.47
▸ AKR1C3 P42330 1/20 0.46
▸ SCN10A Q9Y5Y9 2/20 0.45
▸ CACNA1B Q00975 3/20 0.45
▸ TSHR P16473 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ SCN7A Q01118 3/20 0.43
▸ KCNH2 Q12809 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ CCKAR P32238 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
SCHEMBL1809328 0.90 SMN1; SMN2 (0.50) SCN9ASCN10ATSHRGAASCN7A
SCHEMBL1810249 0.89 SCN9A (0.51) SCN9ASCN10ASCN7AKCNH2
SCHEMBL1806244 0.87 SCN9A (0.46) SCN9AAKR1C3SCN10ACACNA1BSCN7A
SCHEMBL12188601 0.83 GAA (0.49) TSHRGAASMN1; SMN2HTTMAPK1
SCHEMBL1808102 0.80 CACNA1B (0.48) SCN9AAKR1C3CACNA1BKCNH2HSD11B1
SCHEMBL1809658 0.79 SLC40A1 (0.51) SCN9AAKR1C3CACNA1BHSD11B1ALDH1A1
SCHEMBL1810294 0.78 SCN9A (0.45) SCN9AAKR1C3SCN10ACACNA1BSCN7A
SCHEMBL1807793 0.77 SMN1; SMN2 (0.54) TSHRGAASMN1; SMN2MAPK1RAB9A
SCHEMBL2225737 0.76 SCN9A (0.61) SCN9ATSHRGAASCN7AKCNH2
SCHEMBL1807148 0.75 GPR119 (0.51) CACNA1B

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 SCN9A 20/4885AKR1C3 1475/4885SCN10A 14/4885

“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.

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