SCHEMBL1808433

SCHEMBL1808433

Cn1c(C(=O)N2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SPR P35270 1/20 0.50
DRD2 P14416 3/20 0.45
DRD3 P35462 2/20 0.45
MCL1 Q07820 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
UTS2R Q9UKP6 1/20 0.42
DPP4 P27487 1/20 0.41
DPP9 Q86TI2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
EPHX2 P34913 1/20 0.41
KCNH2 Q12809 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MGLL Q99685 1/20 0.40
CYP2D6 P10635 1/20 0.39
KCNE1 P15382 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
SCHEMBL1810369 0.87 AHR (0.56) AHRMEN1KMT2ASPRDRD2
SCHEMBL1807509 0.87 SPR (0.48) AHRSPRDRD2EPHX2KCNH2
SCHEMBL1811395 0.87 HTR2A (0.49) AHRMEN1KMT2ASPRDRD2
SCHEMBL1806735 0.85 AHR (0.47) AHRMEN1KMT2ASPRDRD2
SCHEMBL1807863 0.80 AHR (0.54) AHRMEN1KMT2ADRD2DRD3
SCHEMBL1809531 0.77 SPR (0.51) MEN1KMT2ASPRDPP4EPHX2
SCHEMBL1809053 0.76 OXTR (0.48) SPRHDAC6MGLL
SCHEMBL6488760 0.76 AHR (0.57) AHRMEN1KMT2ADRD2DRD3
SCHEMBL1806612 0.75 CA12 (0.62) MEN1KMT2ASPRMGLL
SCHEMBL6482395 0.75 MCL1 (0.51) AHRMEN1KMT2ADRD2DRD3

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 AHR 340/4885MEN1 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.