SCHEMBL2582474

SCHEMBL2582474

CC(C)(C)OC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2C#N)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GPR119 Q8TDV5 2/20 0.41
TBK1 Q9UHD2 4/20 0.41
PDE4B Q07343 5/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
VCAM1 P19320 1/20 0.39

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
SCHEMBL1813964 0.85 ALDH1A1 (0.50) LMNAALDH1A1MAPTGPR119PDE4B
SCHEMBL4524382 0.84 PDE4B (0.53) LMNAALDH1A1MAPTPDE4B
SCHEMBL12002916 0.84 GPR119 (0.51) LMNAALDH1A1MAPTGPR119PDE4B
SCHEMBL2575871 0.84 PDE4B (0.49) LMNAALDH1A1MAPTPDE4B
SCHEMBL12002938 0.84 ALDH1A1 (0.49) LMNAALDH1A1MAPTGAAPDE4B
SCHEMBL17631454 0.83 AAK1 (0.46) GPR119TBK1PDE4B
SCHEMBL3817206 0.83 NR1H2 (0.47) ALDH1A1GPR119TBK1PDE4B
SCHEMBL17645008 0.81 AAK1 (0.45) GPR119TBK1PDE4B
SCHEMBL6184027 0.79 ALDH1A1 (0.58) LMNAALDH1A1MAPTSMN1; SMN2GPR119
SCHEMBL2277773 0.78 USP30 (0.44) GPR119TBK1PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089397-B1 5- [4- (AZETIDIN-3-YL0XY) -PHENYL]-2-PHENYL-5H-THIAZ0L0 [5,4-C]PYRIDIN-4-0NE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-08-29 EP disclosed
US-8049013-B2 5- [4-(azetidin-3-yloxy)-phenyl]-2-phenyl-5H-thiazolo[5,4-C] pyridin-4-one derivatives and their use as MCH receptor antagonists ELI LILLY AND COMPANY (US) 2011-11-01 US disclosed
US-20100069352-A1 5- [4-(AZETIDIN-3-YLOXY)-PHENYL]-2-PHENYL-5H-THIAZOLO[5,4-C] PYRIDIN-4-ONE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-03-18 US disclosed
EP-2089397-A1 5- [4- (AZETIDIN-3-YL0XY) -PHENYL]-2-PHENYL-5H-THIAZ0L0 [5,4-C]PYRIDIN-4-0NE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-08-19 EP disclosed
WO-2008076562-A1 5- [4- (AZETIDIN-3-YL0XY) -PHENYL] -2-PHENYL-5H-THIAZ0L0 [5,4-C] PYRIDIN-4-0NE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-06-26 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-20100069352-A1 5- [4-(AZETIDIN-3-YLOXY)-PHENYL]-2-PHENYL-5H-THIAZOLO[5,4-C] PYRIDIN-4-ONE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, HCRTR1 LMNA 3365/4885ALDH1A1 1275/4885MAPT 3293/4885

“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.