SCHEMBL1601596

SCHEMBL1601596

O=C(CCc1ccccc1)Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.67
DCTPP1 Q9H773 2/20 0.51
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTR2B P41595 1/20 0.49
MAPK14 Q16539 1/20 0.49
WNT3A P56704 3/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL1601034 0.95 SCD (0.65) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL1601883 0.94 SCD (0.59) SCDDCTPP1WNT3A
SCHEMBL1599653 0.92 SCD (0.57) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL1600545 0.89 SCD (0.57) SCDDCTPP1WNT3A
SCHEMBL1599697 0.88 SCD (0.75) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL1601631 0.86 SCD (0.63) SCDWNT3ALMNA
SCHEMBL1599942 0.86 SCD (0.65) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL1601058 0.86 SCD (0.65) SCDWNT3ALMNA
SCHEMBL1600566 0.82 SCD (0.63) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL1096003 0.82 SCD (0.67) SCDDCTPP1LMNA

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651605-B1 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-05-02 EP claimed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP claimed
US-7763618-B2 1-Pentyl-3-{6-[4-(2-trifluoromethylbenzoyl)piperazin-1-yl]-pyridin-3-yl}urea; inhibitors of stearoyl-CoA desaturase; cardiovascular disease, diabetes, obesity, metabolic syndrome XENON PHARMACEUTICALS INC. (CA) 2010-07-27 US claimed
US-20090131447-A1 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2009-05-21 US claimed
CN-101163504-A Combination therapy XENON PHARMACEUTICALS INC (CA) 2008-04-16 CN claimed
EP-1846035-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2007-10-24 EP claimed
JP-2007500716-A 2007-01-18 JP claimed
US-20060293308-A1 Pyridyl derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-12-28 US claimed
CN-1829690-A Pyridyl derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2006-09-06 CN claimed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO claimed
EP-1651605-A2 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-05-03 EP claimed
WO-2005011654-A2 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 WO claimed
US-20130079354-A1 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2013-03-28 US disclosed
US-8383628-B2 Pyridyl derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2013-02-26 US disclosed
EP-1651605-B1 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-05-02 EP disclosed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP disclosed
US-20070087363-A1 Therapeutic methods, compounds and compositions MYRIAD GENETICS, INCORPORATED (US) 2007-04-19 US disclosed
US-20060293308-A1 Pyridyl derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-12-28 US disclosed
CN-1829690-A Pyridyl derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2006-09-06 CN disclosed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 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 (4 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-20130079354-A1 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS PRMT9, SNRPD3, PRDX5 SCD 4/4885DCTPP1 2402/4885CYP2C9 387/4885
US-20060293308-A1 Pyridyl derivatives and their use as therapeutic agents PRMT9, SNRPD3, PRDX5 SCD 4/4885DCTPP1 2402/4885CYP2C9 387/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885DCTPP1 4175/4885CYP2C9 4867/4885
US-20090131447-A1 COMBINATION THERAPY SCD, SCD5, ARG1 SCD 1/4885DCTPP1 3458/4885CYP2C9 2153/4885

“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.