SCHEMBL1806405

SCHEMBL1806405

Cc1cc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)c(=O)[nH]c1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.43
ABHD6 Q9BV23 1/20 0.43
HSD11B1 P28845 1/20 0.43
CACNA1B Q00975 3/20 0.42
SPR P35270 1/20 0.42
SCN9A Q15858 1/20 0.40
PRKAA2 P54646 2/20 0.40
ACACB O00763 1/20 0.40
CCR5 P51681 1/20 0.40
HRH1 P35367 1/20 0.39
CCR3 P51677 1/20 0.39

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
SCHEMBL1807457 0.85 DRD3 (0.45) MGLLABHD6HSD11B1CACNA1BSCN9A
SCHEMBL1810997 0.82 HSD11B1 (0.46) MGLLABHD6HSD11B1CACNA1BSCN9A
SCHEMBL1807761 0.80 GRIN2D (0.48) MGLLSPRHRH1CCR3
SCHEMBL1807322 0.80 BRAF (0.44) MGLLABHD6HSD11B1
SCHEMBL1808340 0.78 CACNA1B (0.56) MGLLHSD11B1CACNA1BPRKAA2HRH1
SCHEMBL1809578 0.78 MEN1 (0.47) MGLLABHD6HSD11B1SCN9APRKAA2
SCHEMBL1807589 0.78 SCN9A (0.46) MGLLABHD6HSD11B1CACNA1BSCN9A
SCHEMBL1810531 0.77 HTR2B (0.45) MGLLABHD6HSD11B1SCN9APRKAA2
SCHEMBL1807847 0.77 HSD11B1 (0.47) MGLLABHD6HSD11B1CACNA1BSCN9A
SCHEMBL1808112 0.77 MAPK7 (0.45) MGLLABHD6HSD11B1SCN9APRKAA2

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-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 MGLL 4513/4885ABHD6 4171/4885HSD11B1 2985/4885

“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.