SCHEMBL1808008

SCHEMBL1808008

Cc1cc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)on1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MGLL Q99685 2/20 0.45
ABHD6 Q9BV23 1/20 0.45
HSD11B1 P28845 1/20 0.45
PRKAA2 P54646 3/20 0.44
SCN9A Q15858 1/20 0.43
CHRNA4 P43681 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP2D6 P10635 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MAPK7 Q13164 1/20 0.41
ACACB O00763 1/20 0.41

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
SCHEMBL1810864 0.83 SMN1; SMN2 (0.53) SCD5MEN1KMT2AMGLLHSD11B1
SCHEMBL1809425 0.82 MGLL (0.45) SCD5MEN1KMT2AMGLLABHD6
SCHEMBL1806210 0.81 SCN9A (0.46) SCD5MGLLABHD6HSD11B1PRKAA2
SCHEMBL1806858 0.80 HSD11B1 (0.52) MGLLHSD11B1PRKAA2SCN9AMAPK7
SCHEMBL1807589 0.79 SCN9A (0.46) KMT2AMGLLABHD6HSD11B1PRKAA2
SCHEMBL1808114 0.79 HSD11B1 (0.48) MEN1KMT2AMGLLABHD6HSD11B1
SCHEMBL1811107 0.79 KCNH2 (0.48) SCD5MEN1KMT2ACHRNA4CYP2D6
SCHEMBL1808112 0.78 MAPK7 (0.45) MGLLABHD6HSD11B1PRKAA2SCN9A
SCHEMBL1809578 0.78 MEN1 (0.47) SCD5MEN1KMT2AMGLLABHD6
SCHEMBL1810523 0.77 SIGLEC9 (0.46) SCD5MEN1KMT2AMGLLABHD6

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 SCD5 2324/4885MEN1 4046/4885KMT2A 1032/4885

“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.