SCHEMBL24735

SCHEMBL24735

O=C(O)c1nnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)o1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.57
DCTPP1 Q9H773 2/20 0.50
GBA1 P04062 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR2B P41595 1/20 0.48
MAPK14 Q16539 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
SCHEMBL27682559 0.88 SCD (0.51) SCDDCTPP1
SCHEMBL24322 0.84 SCD (0.49) SCDGBA1
SCHEMBL25402 0.81 SCD (0.68) SCDDCTPP1
SCHEMBL25360 0.80 SCD (0.69) SCDDCTPP1
SCHEMBL25483 0.80 SCD (0.69) SCDDCTPP1
SCHEMBL4100656 0.77 NAAA (0.62) SCDGBA1
SCHEMBL935839 0.76 SCD (0.77) SCDDCTPP1
SCHEMBL4262448 0.76 CYP2C9 (0.63) SCDDCTPP1GBA1CYP2C9CYP2C19
SCHEMBL25626 0.75 SCD (0.69) SCDDCTPP1
SCHEMBL3725724 0.75 SCD (0.60) SCDDCTPP1GBA1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1830837-B1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY STEAROYL-COA DESATURASE ENZYMES XENON PHARMACEUTICALS INC (CA) 2013-09-04 EP claimed
US-20080108629-A1 Heterocyclic Derivatives for the Treatment of Diseases Mediated by Stearoyl-Coa Desaturase Enzymes XENON PHARMACEUTICALS INC. (CA) 2008-05-08 US claimed
CN-101083982-A Heterocyclic derivatives for the treatment of diseases mediated by stearoyl-coa desaturase enzymes XENON PHARMACEUTICALS INC (CA) 2007-12-05 CN claimed
EP-1830837-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY STEAROYL-COA DESATURASE ENZYMES XENON PHARMACEUTICALS INC. (CA) 2007-09-12 EP claimed
WO-2006034315-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY STEAROYL-COA DESATURASE ENZYMES XENON PHARMACEUTICALS INC. (CA) 2006-03-30 WO claimed
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-7919496-B2 5-[4-(2-Trifluoromethylbenzoyl)piperazin-1-yl]-[1,3,4]thiadiazole-2-carboxylic acid ethyl ester; metabolic disorders type II diabetes, impaired glucose tolerance, insulin resistance, obesity, fatty liver, non-alcoholic steatohepatitis, dyslipidemia and metabolic syndrome; cardiovascular disorders XENON PHARMACEUTICALS INC. (CA) 2011-04-05 US disclosed
EP-2289510-A1 Heterocyclic derivatives for the treatment of diseases mediated by stearoyl-coa desaturase enzymes Xenon Pharmaceuticals Inc. (CA) 2011-03-02 EP disclosed
US-20080108629-A1 Heterocyclic Derivatives for the Treatment of Diseases Mediated by Stearoyl-Coa Desaturase Enzymes XENON PHARMACEUTICALS INC. (CA) 2008-05-08 US disclosed
CN-101083982-A Heterocyclic derivatives for the treatment of diseases mediated by stearoyl-coa desaturase enzymes XENON PHARMACEUTICALS INC (CA) 2007-12-05 CN disclosed
EP-1830837-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY STEAROYL-COA DESATURASE ENZYMES XENON PHARMACEUTICALS INC. (CA) 2007-09-12 EP disclosed
WO-2006034315-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY STEAROYL-COA DESATURASE ENZYMES XENON PHARMACEUTICALS INC. (CA) 2006-03-30 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 (1 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-20080108629-A1 Heterocyclic Derivatives for the Treatment of Diseases Mediated by Stearoyl-Coa Desaturase Enzymes SCD, SCD5, ECHS1 SCD 1/4885DCTPP1 3619/4885GBA1 231/4885

“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.