SCHEMBL1809425

SCHEMBL1809425

Cc1cc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)n(C)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.45
ABHD6 Q9BV23 1/20 0.45
HSD11B1 P28845 1/20 0.45
SCN9A Q15858 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
FPR2 P25090 2/20 0.43
PROKR1 Q8TCW9 2/20 0.43
PRKAA2 P54646 3/20 0.42
MAPK7 Q13164 2/20 0.41
ACACB O00763 1/20 0.41
SCD5 Q86SK9 1/20 0.39
CACNA1B Q00975 1/20 0.39
NOTUM Q6P988 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
SCHEMBL1808242 0.88 MEN1 (0.51) MGLLABHD6MEN1KMT2AALDH1A1
SCHEMBL1807517 0.87 MMP13 (0.45) SCN9AMEN1KMT2AALDH1A1FPR2
SCHEMBL1809330 0.86 PRKAA2 (0.48) MGLLABHD6HSD11B1SCN9APRKAA2
SCHEMBL1808008 0.82 SCD5 (0.46) MGLLABHD6HSD11B1SCN9AMEN1
SCHEMBL1806858 0.80 HSD11B1 (0.52) MGLLHSD11B1SCN9AALDH1A1PRKAA2
SCHEMBL1810913 0.80 PDE4A (0.43) MGLLABHD6HSD11B1SCN9AFPR2
SCHEMBL1808027 0.80 HSD11B1 (0.45) MGLLABHD6HSD11B1SCN9APRKAA2
SCHEMBL1807589 0.79 SCN9A (0.46) MGLLABHD6HSD11B1SCN9AKMT2A
SCHEMBL1808114 0.79 HSD11B1 (0.48) MGLLABHD6HSD11B1SCN9AMEN1
SCHEMBL1806989 0.79 FPR2 (0.49) MEN1KMT2AALDH1A1FPR2PROKR1

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 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.