SCHEMBL1809328

SCHEMBL1809328

O=C(c1ccc2ccccc2n1)N1CCC(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ GAA P10253 2/20 0.48
▸ SCN9A Q15858 11/20 0.47
▸ SCN10A Q9Y5Y9 2/20 0.47
▸ SCN7A Q01118 2/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTR2B P41595 1/20 0.45
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL1807553 0.90 SCN9A (0.47) SMN1; SMN2HTTGAASCN9ASCN10A
SCHEMBL1810294 0.86 SCN9A (0.45) SCN9ASCN10ASCN7AKCNH2HTR2B
SCHEMBL2225737 0.84 SCN9A (0.61) SMN1; SMN2HTTGAASCN9ASCN7A
SCHEMBL1807793 0.83 SMN1; SMN2 (0.54) SMN1; SMN2GAATSHRMAPK1RAB9A
SCHEMBL1810249 0.80 SCN9A (0.51) SCN9ASCN10ASCN7AKCNH2
SCHEMBL12188601 0.78 GAA (0.49) SMN1; SMN2HTTGAATSHRMAPK1
SCHEMBL1807395 0.77 MMP2 (0.49) KCNH2
SCHEMBL1807902 0.77 HTR2A (0.50) SCN9A
SCHEMBL1806244 0.77 SCN9A (0.46) SCN9ASCN10ASCN7AKCNH2
SCHEMBL1809041 0.74 SCN9A (0.50) GAASCN9ASCN10ASCN7AKCNH2

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 SMN1; SMN2 222/4885HTT 956/4885GAA 1906/4885

“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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