SCHEMBL1822247

SCHEMBL1822247

O=C(O)c1cnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.61
GBA1 P04062 1/20 0.54
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTR2B P41595 1/20 0.47
MAPK14 Q16539 1/20 0.47
HSD11B1 P28845 1/20 0.47
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL3837592 0.84 SCD (0.65) SCDGBA1KDM4EALDH1A1CYP2C9
SCHEMBL1385266 0.81 SCD (0.68) SCDGBA1
SCHEMBL3830132 0.81 SCD (0.61) SCDGBA1KDM4EALDH1A1L3MBTL1
SCHEMBL14143562 0.80 SCD (0.57) SCDGBA1KDM4EALDH1A1L3MBTL1
SCHEMBL3828778 0.79 SCD (0.58) SCDGBA1KDM4EALDH1A1L3MBTL1
SCHEMBL1822337 0.77 SCD (0.65) SCDGBA1ALDH1A1CYP2C9CYP2C19
SCHEMBL1822110 0.76 SCD (0.63) SCDGBA1
SCHEMBL2719094 0.76 SCD (0.71) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL3677226 0.76 SCD (0.71) SCDGBA1KDM4EALDH1A1
SCHEMBL25775 0.76 SCD (1.00) SCDGBA1CYP2C9CYP2C19HTR2B

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 23 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
US-20070087363-A1 Therapeutic methods, compounds and compositions MYRIAD GENETICS, INCORPORATED (US) 2007-04-19 US disclosed
US-20060252767-A1 Piperazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-11-09 US disclosed
CN-1829701-A Piperazine 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
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 (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-20060252767-A1 Piperazine derivatives and their use as therapeutic agents ARG2, S1PR5, S1PR1 SCD 17/4885GBA1 24/4885KDM4E 1111/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885GBA1 54/4885KDM4E 4395/4885
US-20090030008-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS ARG2, S1PR5, S1PR1 SCD 17/4885GBA1 24/4885KDM4E 1111/4885
US-20090131447-A1 COMBINATION THERAPY SCD, SCD5, ARG1 SCD 1/4885GBA1 546/4885KDM4E 860/4885

“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.