SCHEMBL1807342

SCHEMBL1807342

NC(=O)COc1cccnc1C(=O)N1CCC(Oc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.46
EPHX2 P34913 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2J2 P51589 2/20 0.43
HSD11B1 P28845 1/20 0.43
PRKAA2 P54646 3/20 0.42
SLC6A7 Q99884 1/20 0.41
MGLL Q99685 2/20 0.40
CNR1 P21554 2/20 0.40
SCN9A Q15858 1/20 0.40
NTRK1 P04629 1/20 0.40
KCNH2 Q12809 1/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40
MAPK7 Q13164 1/20 0.40
ABHD6 Q9BV23 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RBP4 P02753 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
SCHEMBL12188639 0.87 CHRM3 (0.44) SCDMGLLCNR1KDM4ERBP4
SCHEMBL1809803 0.86 HSD11B1 (0.46) EPHX2CYP2C9CYP2J2HSD11B1PRKAA2
SCHEMBL1808112 0.83 MAPK7 (0.45) EPHX2CYP2C9CYP2J2HSD11B1PRKAA2
SCHEMBL1812070 0.82 HSD11B1 (0.56) HSD11B1PRKAA2MGLLSCN9AMAPK7
SCHEMBL1811387 0.82 HSD11B1 (0.51) HSD11B1PRKAA2SLC6A7MGLLSCN9A
SCHEMBL1806956 0.81 PRKAA2 (0.49) SCDEPHX2HSD11B1PRKAA2SLC6A7
SCHEMBL1810221 0.78 HSD11B1 (0.52) EPHX2HSD11B1PRKAA2SLC6A7MGLL
SCHEMBL1809184 0.77 CHRM2 (0.52) HSD11B1PRKAA2SLC6A7MGLLSCN9A
SCHEMBL1810570 0.76 MMP13 (0.43) SCDEPHX2HSD11B1KDM4E
SCHEMBL1810730 0.76 HSD11B1 (0.47) EPHX2HSD11B1PRKAA2MGLLSCN9A

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 SCD 2367/4885EPHX2 2869/4885CYP2C9 924/4885

“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.