SCHEMBL25380

SCHEMBL25380

CCOC(=O)C=NNC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2B P41595 1/20 0.44
MAPK14 Q16539 1/20 0.44
SCD O00767 7/20 0.43
GBA1 P04062 1/20 0.43
LMNA P02545 1/20 0.42
NPY2R P49146 1/20 0.41

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
SCHEMBL25379 1.00 MAPT (0.45) MAPTCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL223124 0.77 CYP2C9 (0.50) MAPTCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL25392 0.74 SCD (0.47) MAPTCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL25604 0.72 SCD (0.55) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL12881276 0.72 BLM (0.57) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL13983799 0.71 SCD (0.62) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL21424836 0.70 CYP2C9 (0.46) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL4262448 0.69 CYP2C9 (0.63) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL223284 0.69 RBP4 (0.62) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL27701674 0.69 CYP2C9 (0.46) CYP2C9CYP2C19HTR2BMAPK14SCD

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 6 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 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 MAPT 4243/4885CYP2C9 795/4885CYP2C19 1217/4885

“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.