SCHEMBL1809658

SCHEMBL1809658

O=C(c1cccc2cccnc12)N1CCC(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 1/20 0.51
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ PKLR P30613 1/20 0.46
▸ CACNA1B Q00975 4/20 0.46
▸ CHRM2 P08172 2/20 0.46
▸ PDE4A P27815 2/20 0.45
▸ PDE4B Q07343 2/20 0.45
▸ PDE4D Q08499 2/20 0.45
▸ CCR3 P51677 1/20 0.43
▸ PDE4C Q08493 1/20 0.42
▸ SLC6A7 Q99884 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ HSD11B1 P28845 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1807902 0.91 HTR2A (0.50) SLC40A1HTR2AHTR2CPKLRCACNA1B
SCHEMBL1809428 0.86 HTR2A (0.51) SLC40A1HTR2AHTR2CPKLRCACNA1B
SCHEMBL1809184 0.83 CHRM2 (0.52) SLC40A1HTR2AHTR2CPKLRCHRM2
SCHEMBL1806244 0.81 SCN9A (0.46) SLC40A1PKLRCACNA1BAKR1C3HSD11B1
SCHEMBL1808102 0.79 CACNA1B (0.48) HTR2AHTR2CPKLRCACNA1BAKR1C3
SCHEMBL1807553 0.79 SCN9A (0.47) CACNA1BAKR1C3HSD11B1MGLLSCN9A
SCHEMBL1811014 0.79 CCR3 (0.50) SLC40A1HTR2AHTR2CCHRM2CCR3
SCHEMBL1811543 0.79 TDP1 (0.50) SLC40A1HTR2AHTR2CCHRM2CCR3
SCHEMBL2224619 0.77 SCN9A (0.55) HTR2AHTR2CCHRM2SCN9AALDH1A1
SCHEMBL12100071 0.76 SLC40A1 (0.48) SLC40A1PKLRPDE4APDE4BPDE4D

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 SLC40A1 3806/4885HTR2A 661/4885HTR2C 771/4885

“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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