SCHEMBL25933

SCHEMBL25933

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
SCD O00767 4/20 0.53
NPY2R P49146 2/20 0.53
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTR2B P41595 1/20 0.52
MAPK14 Q16539 1/20 0.52
GPR119 Q8TDV5 2/20 0.49
GBA1 P04062 1/20 0.49
MGLL Q99685 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC4 P56524 1/20 0.48

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
SCHEMBL3529473 0.88 POLB (0.55) POLBGPR119MEN1KMT2AHDAC4
SCHEMBL938275 0.88 POLB (0.48) POLBNPY2RGPR119MEN1KMT2A
SCHEMBL13872064 0.87 POLB (0.68) POLBGPR119MEN1KMT2A
SCHEMBL7934516 0.87 NPY2R (0.46) POLBSCDNPY2RCYP2C9CYP2C19
SCHEMBL4473489 0.83 POLB (0.61) POLBNPY2RMEN1KMT2A
SCHEMBL5935437 0.83 GPR119 (0.49) POLBSCDGPR119MEN1KMT2A
SCHEMBL224423 0.83 GPR119 (0.49) POLBSCDGPR119MEN1KMT2A
SCHEMBL13872061 0.83 POLB (0.64) POLBGPR119MEN1KMT2A
SCHEMBL20818495 0.82 AKR1C3 (0.60) GPR119
SCHEMBL31694435 0.82 AKR1C3 (0.60) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042895-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2016-07-13 EP disclosed
EP-2316827-B1 Piperazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2016-01-27 EP disclosed
EP-1830837-B1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY STEAROYL-COA DESATURASE ENZYMES XENON PHARMACEUTICALS INC (CA) 2013-09-04 EP disclosed
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-1851205-B1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-04-11 EP disclosed
US-8071603-B2 Contacting a source of hSCD with N-(2-Cyclopropyl-ethyl)-4-[4-(5-fluoro-2-trifluoromethyl-benzoyl)-piperazin-1-yl]-benzamide; elevated lipid levels, cardiovascular disease, diabetes, obesity, metabolic syndrome XENON PHARMACEUTICALS INC. (CA) 2011-12-06 US disclosed
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 EP disclosed
EP-2316827-A1 Piperazine derivatives and their use as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2011-05-04 EP disclosed
WO-2007009236-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2007-01-25 WO disclosed
US-20060293308-A1 Pyridyl derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-12-28 US disclosed
WO-2006130986-A1 AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2006-12-14 WO disclosed
CN-1829698-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2006-09-06 CN disclosed
EP-1651605-A2 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-05-03 EP disclosed
WO-2006034312-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AND THEIR USE AS INHIBITORS OF STEAROYL-COA-DESATURASE (SCD) XENON PHARMACEUTICALS INC. (CA) 2006-03-30 WO disclosed
WO-2006034441-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2006-03-30 WO disclosed
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-01-12 US disclosed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US 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-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 POLB 2394/4885SCD 21/4885NPY2R 958/4885
US-20130079354-A1 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS PRMT9, SNRPD3, PRDX5 POLB 2485/4885SCD 4/4885NPY2R 1850/4885
US-20060293308-A1 Pyridyl derivatives and their use as therapeutic agents PRMT9, SNRPD3, PRDX5 POLB 2485/4885SCD 4/4885NPY2R 1850/4885
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, C3AR1 POLB 2371/4885SCD 24/4885NPY2R 1002/4885

“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.