SCHEMBL1384531

SCHEMBL1384531

O=C(NCCc1ccccc1)c1ncc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.80
DCTPP1 Q9H773 2/20 0.67
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTR2B P41595 1/20 0.51
MAPK14 Q16539 1/20 0.51

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
SCHEMBL1385082 0.94 SCD (0.77) SCDDCTPP1
SCHEMBL1384732 0.90 SCD (0.71) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL1601540 0.89 SCD (1.00) SCDDCTPP1
SCHEMBL2470151 0.86 SCD (0.71) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL1386585 0.85 SCD (1.00) SCD
SCHEMBL2466196 0.84 SCD (0.75) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL1601035 0.84 SCD (0.90) SCDDCTPP1
SCHEMBL1599697 0.84 SCD (0.75) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL1385282 0.83 SCD (0.77) SCDDCTPP1
SCHEMBL3673233 0.83 SCD (1.00) 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4838128-B2 2011-12-14 JP claimed
EP-1651620-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-11-09 EP claimed
US-8030488-B2 Piperazine derivatives as stearoyl-coa desaturase inhibitors and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2011-10-04 US claimed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP claimed
US-20090131447-A1 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2009-05-21 US claimed
US-20090030008-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-01-29 US claimed
CN-101163504-A Combination therapy XENON PHARMACEUTICALS INC (CA) 2008-04-16 CN claimed
JP-2007500720-A 2007-01-18 JP claimed
US-20060252767-A1 Piperazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-11-09 US claimed
EP-1651620-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-05-03 EP claimed
WO-2005011657-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 WO claimed
EP-1651620-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-11-09 EP disclosed
US-8030488-B2 Piperazine derivatives as stearoyl-coa desaturase inhibitors and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2011-10-04 US disclosed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP disclosed
EP-2316828-A1 Piperazine derivatives and their use as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2011-05-04 EP disclosed
EP-1846035-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2007-10-24 EP disclosed
US-20060252767-A1 Piperazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-11-09 US disclosed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO disclosed
EP-1651620-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-05-03 EP disclosed
WO-2005011657-A2 PIPERAZINE 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 (3 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-20060252767-A1 Piperazine derivatives and their use as therapeutic agents ARG2, S1PR5, S1PR1 SCD 17/4885DCTPP1 2358/4885CYP2C9 2522/4885
US-20090030008-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS ARG2, S1PR5, S1PR1 SCD 17/4885DCTPP1 2358/4885CYP2C9 2522/4885
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.