SCHEMBL2581353

SCHEMBL2581353

COc1cc(N)ccc1OC1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.53
PDE4A P27815 3/20 0.53
PDE4C Q08493 3/20 0.53
PDE4D Q08499 3/20 0.53
NR1H2 P55055 1/20 0.47
PIK3CD O00329 2/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 2/20 0.46
CACNB4 O00305 1/20 0.46
CACNA1A O00555 1/20 0.46
CACNA1G O43497 1/20 0.46
CACNG3 O60359 1/20 0.46
CACNA1F O60840 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNB3 P54284 1/20 0.46
CACNA2D1 P54289 1/20 0.46
CACNG7 P62955 1/20 0.46
CACNA1B Q00975 1/20 0.46
CACNA1D Q01668 1/20 0.46

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
SCHEMBL4519218 0.95 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DNR1H2
SCHEMBL15509004 0.91 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DNR1H2
SCHEMBL4202107 0.91 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DNR1H2
SCHEMBL4202110 0.91 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DNR1H2
SCHEMBL5971017 0.88 PDE4B (0.67) PDE4BPDE4APDE4CPDE4DNR1H2
SCHEMBL2575862 0.85 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DPIK3CD
SCHEMBL12003024 0.85 NR1H2 (0.47) PDE4BPDE4APDE4CPDE4DNR1H2
SCHEMBL4201003 0.85 GPR119 (0.52) PDE4BPDE4APDE4CPDE4DNR1H2
SCHEMBL4200656 0.83 ALDH1A1 (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL3817206 0.82 NR1H2 (0.47) PDE4BNR1H2USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-11-29 US disclosed
US-8263772-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-09-11 US disclosed
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
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 US disclosed
EP-2029609-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 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
WO-2007146758-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 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 (3 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 PDE4B 3549/4885PDE4A 3056/4885PDE4C 2839/4885
US-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R PDE4B 1799/4885PDE4A 1644/4885PDE4C 2287/4885
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R PDE4B 1851/4885PDE4A 1636/4885PDE4C 2295/4885

“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.