SCHEMBL1807787

SCHEMBL1807787

CC(=O)NCc1ccccc1C(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2J2 P51589 3/20 0.50
CFD P00746 1/20 0.48
KLK7 P49862 1/20 0.48
PRKAA2 P54646 3/20 0.47
ACACB O00763 1/20 0.44
HSD11B1 P28845 1/20 0.42
MGLL Q99685 2/20 0.41
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
SCN9A Q15858 1/20 0.41
ABHD6 Q9BV23 1/20 0.40
LIPE Q05469 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
SCHEMBL1806217 0.89 EPHX2 (0.47) EPHX2CYP2C9CYP2J2CFDKLK7
SCHEMBL1807284 0.87 PRKAA2 (0.46) EPHX2CYP2C9CYP2J2CFDKLK7
SCHEMBL12188640 0.87 EPHX2 (0.46) EPHX2CYP2C9CYP2J2MGLL
SCHEMBL1807766 0.84 PRKAA2 (0.48) EPHX2CYP2C9CYP2J2PRKAA2ACACB
SCHEMBL1811392 0.80 KMT2A (0.40) EPHX2CYP2C9CYP2J2CFDKLK7
SCHEMBL1805986 0.79 MMP2 (0.48) PRKAA2HSD11B1MGLLMMP2MMP13
SCHEMBL1808340 0.79 CACNA1B (0.56) PRKAA2HSD11B1MGLLMMP2MMP13
SCHEMBL1811257 0.79 PRKAA2 (0.49) EPHX2PRKAA2ACACBHSD11B1MGLL
SCHEMBL1807578 0.79 MMP2 (0.46) EPHX2PRKAA2ACACBHSD11B1MGLL
SCHEMBL1810711 0.78 F10 (0.53) PRKAA2HSD11B1MGLLSCN9A

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 7 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
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 EPHX2 2869/4885CYP2C9 924/4885CYP2J2 1105/4885

“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.