SCHEMBL1806244

SCHEMBL1806244

O=C(c1ccc2cccc(O)c2n1)N1CCC(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.46
▸ AKR1C3 P42330 1/20 0.45
▸ CACNA1B Q00975 4/20 0.43
▸ HSD11B1 P28845 1/20 0.41
▸ MGLL Q99685 3/20 0.40
▸ SLC40A1 Q9NP59 1/20 0.39
▸ SPR P35270 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ CCKAR P32238 1/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ SCN7A Q01118 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PKLR P30613 1/20 0.38

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
SCHEMBL1810294 0.91 SCN9A (0.45) SCN9AAKR1C3CACNA1BHSD11B1MGLL
SCHEMBL12100617 0.88 HSD11B1 (0.41) SCN9AAKR1C3CACNA1BHSD11B1MGLL
SCHEMBL1807553 0.87 SCN9A (0.47) SCN9AAKR1C3CACNA1BHSD11B1MGLL
SCHEMBL1811165 0.86 CCKAR (0.40) SCN9ASPRCCKARPIM1PRKAA2
SCHEMBL12188766 0.85 SPR (0.44) MGLLSPRPIM1
SCHEMBL1810249 0.82 SCN9A (0.51) SCN9ASCN10ASCN7AKCNH2
SCHEMBL1809658 0.81 SLC40A1 (0.51) SCN9AAKR1C3CACNA1BHSD11B1MGLL
SCHEMBL1808102 0.78 CACNA1B (0.48) SCN9AAKR1C3CACNA1BHSD11B1MGLL
SCHEMBL1809328 0.77 SMN1; SMN2 (0.50) SCN9ASCN10ASCN7AKCNH2
SCHEMBL3025410 0.75 CACNA1B (0.60) SCN9AAKR1C3CACNA1BCYP3A4

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 1475/4885CACNA1B 17/4885

“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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