SCHEMBL1809430

SCHEMBL1809430

Cn1c(C(=O)N2CCC(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)cc2ccc(F)cc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 6/20 0.50
▸ HSD11B1 P28845 2/20 0.46
▸ SCN9A Q15858 1/20 0.43
▸ MGLL Q99685 1/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ HTR6 P50406 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL1811520 0.93 CACNA1B (0.50) CACNA1BHSD11B1SCN9AMGLLAKR1C3
SCHEMBL12099414 0.88 HSD11B1 (0.46) CACNA1BHSD11B1SCN9AMGLLDRD2
SCHEMBL12188744 0.86 HTR2A (0.41) CACNA1BMGLLDRD2HTR2AHTR2C
SCHEMBL1811395 0.80 HTR2A (0.49) HSD11B1MGLLDRD2HTR2AHTR2C
SCHEMBL12188773 0.78 KDM4E (0.45) MGLLDRD2HTR2AHTR2CKCNH2
SCHEMBL1808102 0.77 CACNA1B (0.48) CACNA1BHSD11B1SCN9AMGLLAKR1C3
SCHEMBL1807553 0.75 SCN9A (0.47) CACNA1BHSD11B1SCN9AMGLLAKR1C3
SCHEMBL1807148 0.75 GPR119 (0.51) CACNA1B
SCHEMBL1806244 0.74 SCN9A (0.46) CACNA1BHSD11B1SCN9AMGLLAKR1C3
SCHEMBL1810249 0.73 SCN9A (0.51) SCN9AKCNH2

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 CACNA1B 17/4885HSD11B1 2985/4885SCN9A 20/4885

“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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