SCHEMBL1601540

SCHEMBL1601540

O=C(NCCc1ccccc1)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 16/20 1.00
DCTPP1 Q9H773 2/20 0.73

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
SCHEMBL1601035 0.95 SCD (0.90) SCDDCTPP1
SCHEMBL1601062 0.94 SCD (0.88) SCDDCTPP1
SCHEMBL1599640 0.94 SCD (0.88) SCDDCTPP1
SCHEMBL1384531 0.89 SCD (0.80) SCDDCTPP1
SCHEMBL1599652 0.89 SCD (0.80) SCDDCTPP1
SCHEMBL1600692 0.89 SCD (0.80) SCDDCTPP1
SCHEMBL1385282 0.87 SCD (0.77) SCDDCTPP1
SCHEMBL27671395 0.87 SCD (0.77) SCDDCTPP1
SCHEMBL1601541 0.86 SCD (1.00) SCDDCTPP1
SCHEMBL1601624 0.86 SCD (0.79) SCDDCTPP1

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
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
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO disclosed
EP-1651605-A2 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-05-03 EP disclosed
WO-2005011654-A2 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 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 2402/4885
US-20060293308-A1 Pyridyl derivatives and their use as therapeutic agents PRMT9, SNRPD3, PRDX5 SCD 4/4885DCTPP1 2402/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885DCTPP1 4175/4885
US-20090131447-A1 COMBINATION THERAPY SCD, SCD5, ARG1 SCD 1/4885DCTPP1 3458/4885

“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.