SCHEMBL1822337

SCHEMBL1822337

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

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.65
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTR2B P41595 1/20 0.53
MAPK14 Q16539 1/20 0.53
GBA1 P04062 1/20 0.53
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
P2RX7 Q99572 1/20 0.50

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
SCHEMBL2719094 0.86 SCD (0.71) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL1384732 0.84 SCD (0.71) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL27657963 0.84 SCD (0.60) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL1817946 0.84 SCD (0.57) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL1384531 0.83 SCD (0.80) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL2466841 0.82 SCD (0.61) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL1385082 0.81 SCD (0.77) SCD
SCHEMBL3837592 0.81 SCD (0.65) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL2466840 0.81 SCD (0.67) SCD
SCHEMBL27651267 0.80 SCD (0.61) SCDGBA1ALDH1A1MEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1829701-A Piperazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2006-09-06 CN 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-2316828-A1 Piperazine derivatives and their use as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2011-05-04 EP disclosed
CN-101693697-A Pyrizdazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC 2010-04-14 CN disclosed
US-20090131447-A1 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2009-05-21 US disclosed
US-20090030008-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-01-29 US disclosed
CN-101163504-A Combination therapy XENON PHARMACEUTICALS INC (CA) 2008-04-16 CN 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 17/4885CYP2C9 2522/4885CYP2C19 2640/4885
US-20090030008-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS ARG2, S1PR5, S1PR1 SCD 17/4885CYP2C9 2522/4885CYP2C19 2640/4885
US-20090131447-A1 COMBINATION THERAPY SCD, SCD5, ARG1 SCD 1/4885CYP2C9 2153/4885CYP2C19 2621/4885

“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.