SCHEMBL1810294

SCHEMBL1810294

O=C(c1ccc2cccc(O)c2n1)N1CCC(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.45
▸ MGLL Q99685 2/20 0.42
▸ CACNA1B Q00975 2/20 0.41
▸ SCN7A Q01118 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ MAPK7 Q13164 1/20 0.39
▸ SPR P35270 1/20 0.39
▸ PRKAA2 P54646 1/20 0.38
▸ HSD11B1 P28845 2/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ EPHX2 P34913 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
SCHEMBL1806244 0.91 SCN9A (0.46) SCN9AMGLLCACNA1BSCN7AKCNH2
SCHEMBL1809328 0.86 SMN1; SMN2 (0.50) SCN9ASCN7AKCNH2SCN10AHTR2B
SCHEMBL12100617 0.84 HSD11B1 (0.41) SCN9AMGLLCACNA1BSCN7AKCNH2
SCHEMBL12188766 0.81 SPR (0.44) MGLLPIM1SPRKDM4EKMT2A
SCHEMBL1807902 0.80 HTR2A (0.50) SCN9AMGLLCACNA1BMAPK7EPHX2
SCHEMBL1811165 0.78 CCKAR (0.40) SCN9APIM1SPRPRKAA2
SCHEMBL1807553 0.78 SCN9A (0.47) SCN9AMGLLCACNA1BSCN7AKCNH2
SCHEMBL1807395 0.75 MMP2 (0.49) MGLLKCNH2HSD11B1MMP2MMP9
SCHEMBL1810249 0.74 SCN9A (0.51) SCN9ASCN7AKCNH2SCN10AMAPK7
SCHEMBL1807405 0.73 PIM1 (0.45) KCNH2PIM1PRKAA2KDM4EKMT2A

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 SCN9A 20/4885MGLL 4513/4885CACNA1B 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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