SCHEMBL1809803

SCHEMBL1809803

NC(=O)COc1ccccc1C(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
MGLL Q99685 3/20 0.44
CACNA1B Q00975 3/20 0.43
CYP2C9 P11712 2/20 0.42
EPHX2 P34913 2/20 0.42
CYP2J2 P51589 2/20 0.42
PRKAA2 P54646 1/20 0.42
ABHD6 Q9BV23 1/20 0.41
HTT P42858 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SCN9A Q15858 1/20 0.40
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL1810570 0.90 MMP13 (0.43) HSD11B1CACNA1BEPHX2HTTTDP1
SCHEMBL1810134 0.89 EPHX2 (0.51) CACNA1BEPHX2HTTKDM4EGAA
SCHEMBL1813071 0.88 KMT2A (0.46) HSD11B1MGLLCACNA1BGAAMEN1
SCHEMBL1807419 0.88 CACNA1B (0.45) HSD11B1MGLLCACNA1BCYP2C9EPHX2
SCHEMBL1808574 0.87 FKBP1A (0.48) HSD11B1MGLLKDM4EGAAMEN1
SCHEMBL12188663 0.86 CHRM3 (0.48) HTTTDP1KDM4EHRH1CCR3
SCHEMBL1807342 0.86 SCD (0.46) HSD11B1MGLLCYP2C9EPHX2CYP2J2
SCHEMBL1810904 0.86 PRKAA2 (0.45) HSD11B1MGLLCACNA1BCYP2C9EPHX2
SCHEMBL1811387 0.85 HSD11B1 (0.51) HSD11B1MGLLCACNA1BPRKAA2HRH1
SCHEMBL1812070 0.85 HSD11B1 (0.56) HSD11B1MGLLCACNA1BPRKAA2HRH1

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-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
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 HSD11B1 2985/4885MGLL 4513/4885CACNA1B 17/4885

“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.