SCHEMBL1809714

SCHEMBL1809714

CC(=O)Nc1cc(C(=O)N2CCC(Oc3cccc(OCC(F)(F)F)c3)CC2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 4/20 0.44
MMP13 P45452 1/20 0.44
GPR52 Q9Y2T5 1/20 0.43
SCN9A Q15858 1/20 0.43
GAA P10253 1/20 0.42
HRH1 P35367 1/20 0.42
CCR3 P51677 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CSF1R P07333 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
DDR1 Q08345 1/20 0.42
PROKR1 Q8TCW9 1/20 0.42
ACACB O00763 2/20 0.42
SYK P43405 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
SCHEMBL1809967 0.89 PRKAA2 (0.52) PRKAA2SCN9AMEN1KMT2AACACB
SCHEMBL1809896 0.89 ACACB (0.50) PRKAA2GAAHRH1CCR3MEN1
SCHEMBL1807193 0.86 PRKAA2 (0.46) PRKAA2MMP13SCN9AACACB
SCHEMBL12188760 0.85 KMT2A (0.46) PRKAA2SCN9AMEN1KMT2AACACB
SCHEMBL1809976 0.83 GAA (0.45) MMP13SCN9AGAAHRH1CCR3
SCHEMBL1810727 0.81 NOS1 (0.44) GAAHRH1CCR3MEN1KMT2A
SCHEMBL12100031 0.81 HSD11B1 (0.49) PRKAA2SCN9AGAAHRH1CCR3
SCHEMBL1809734 0.80 HSD11B1 (0.47) PRKAA2SCN9AMEN1KMT2A
SCHEMBL1807053 0.80 OPRK1 (0.53) MMP13GAAHRH1CCR3MEN1
SCHEMBL16784863 0.80 PRKAA2 (0.46) PRKAA2SCN9AGAAMEN1KMT2A

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 8 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-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 PRKAA2 3288/4885MMP13 4272/4885GPR52 449/4885

“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.