SCHEMBL995031

SCHEMBL995031

O=C(O)c1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)nn1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.59
GAA P10253 3/20 0.55
RBP4 P02753 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
EPHX2 P34913 1/20 0.52
TRPV1 Q8NER1 3/20 0.51
SCD O00767 1/20 0.49
TRPA1 O75762 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
SCHEMBL992405 0.81 SCD (0.70) SCD
SCHEMBL3095680 0.78 HSD11B1 (0.76) HSD11B1GAARBP4EPHX2TRPV1
SCHEMBL935839 0.78 SCD (0.77) SCD
SCHEMBL936764 0.77 KDM4E (0.56) GAAALDH1A1KMT2ANPSR1SCD
SCHEMBL936939 0.77 SCD (0.63) SCD
SCHEMBL994567 0.77 ALDH1A1 (0.53) ALDH1A1MAPK1KMT2ANPSR1
SCHEMBL27701913 0.75 SCD (0.44) SCD
SCHEMBL3405262 0.75 SCD (0.49) SCD
SCHEMBL938314 0.75 SCD (0.56) SCD
SCHEMBL936676 0.75 SCD (0.49) SCD

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 HSD11B1 151/4885GAA 654/4885RBP4 530/4885
US-20090306090-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, FADS2 HSD11B1 453/4885GAA 583/4885RBP4 978/4885

“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.