SCHEMBL26039

SCHEMBL26039

CCCCCCCNC(=O)c1nnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)s1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 17/20 0.71
DCTPP1 Q9H773 2/20 0.52

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
SCHEMBL25378 1.00 SCD (0.71) SCDDCTPP1
SCHEMBL25261 1.00 SCD (0.71) SCDDCTPP1
SCHEMBL24671 0.99 SCD (0.71) SCDDCTPP1
SCHEMBL27021 0.96 SCD (0.67) SCDDCTPP1
SCHEMBL26879 0.89 SCD (0.64) SCDDCTPP1
SCHEMBL24230 0.88 SCD (0.71) SCDDCTPP1
SCHEMBL25586 0.88 SCD (0.56) SCDDCTPP1
SCHEMBL25576 0.87 SCD (0.71) SCDDCTPP1
SCHEMBL26470 0.86 SCD (0.70) SCDDCTPP1
SCHEMBL15225413 0.85 SCD (0.63) 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 9 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-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 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
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
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 3619/4885

“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.