SCHEMBL993579

SCHEMBL993579

O=C(O)c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.56
LMNA P02545 5/20 0.53
HTT P42858 2/20 0.53
MAPT P10636 3/20 0.53
TSHR P16473 4/20 0.52
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAPK1 P28482 2/20 0.50
NOTUM Q6P988 1/20 0.50
HSD17B10 Q99714 1/20 0.49
ATM Q13315 1/20 0.49
HPGD P15428 1/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR1D P28221 1/20 0.49
HTR2C P28335 1/20 0.49

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
SCHEMBL9310480 0.81 MAPT (0.58) NPSR1LMNAHTTMAPTTSHR
SCHEMBL992660 0.80 SCD (0.65)
SCHEMBL9310502 0.80 MAPT (0.57) NPSR1LMNAHTTMAPTTSHR
SCHEMBL9310797 0.80 MAPT (0.57) NPSR1LMNAHTTMAPTTSHR
SCHEMBL9312397 0.80 MAPT (0.57) NPSR1LMNAHTTMAPTTSHR
SCHEMBL30883140 0.77 SERPINE1 (0.61) NPSR1LMNAHTTMAPTTSHR
SCHEMBL28226906 0.77 ALDH1A1 (0.77) NPSR1LMNAHTTMAPTTSHR
SCHEMBL631027 0.76 LMNA (0.70) NPSR1LMNAHTTMAPTTSHR
SCHEMBL27701913 0.76 SCD (0.44) LMNAHTT
SCHEMBL938538 0.76 SCD (0.58)

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804799-B1 Heterocyclic derivatives and their use as stearoyl-coa desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2013-08-21 EP claimed
US-7592343-B2 Pyridazine-piperazine compounds and their use as stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2009-09-22 US claimed
US-20080125434-A1 Heterocyclic Derivatives and Their Use as Strearoyl-Coa Desaturase Inhibitors XENON PHARMACEUTICALS INC. (CA) 2008-05-29 US claimed
EP-1804799-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-07-11 EP claimed
WO-2006101521-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2006-09-28 WO claimed
EP-1804799-B1 Heterocyclic derivatives and their use as stearoyl-coa desaturase inhibitors XENON PHARMACEUTICALS INC (CA) 2013-08-21 EP disclosed
US-8026360-B2 Substituted pyridazines as stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2011-09-27 US disclosed
EP-2269610-A2 Heterocyclic derivatives and their use as stearoyl-coa desaturase inhibitors Xenon Pharmaceuticals Inc. (CA) 2011-01-05 EP disclosed
US-20090306090-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2009-12-10 US disclosed
US-7592343-B2 Pyridazine-piperazine compounds and their use as stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2009-09-22 US disclosed
US-20080125434-A1 Heterocyclic Derivatives and Their Use as Strearoyl-Coa Desaturase Inhibitors XENON PHARMACEUTICALS INC. (CA) 2008-05-29 US disclosed
EP-1804799-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-07-11 EP disclosed
WO-2006101521-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2006-09-28 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 (2 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-20080125434-A1 Heterocyclic Derivatives and Their Use as Strearoyl-Coa Desaturase Inhibitors SCD, SCD5, NR1H2 NPSR1 3988/4885LMNA 657/4885HTT 1675/4885
US-20090306090-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, FADS2 NPSR1 4043/4885LMNA 434/4885HTT 1980/4885

“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.