SCHEMBL4218331

SCHEMBL4218331

COc1cc([N+](=O)[O-])ccc1OC1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.56
PDE4A P27815 3/20 0.49
PDE4C Q08493 3/20 0.49
PDE4D Q08499 3/20 0.49
PIK3CD O00329 2/20 0.48
PIK3CA P42336 2/20 0.48
PIK3CB P42338 2/20 0.48
PIK3CG P48736 2/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL4204576 1.00 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPIK3CD
SCHEMBL15508864 0.94 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPIK3CD
SCHEMBL4192877 0.94 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPIK3CD
SCHEMBL4216140 0.94 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPIK3CD
SCHEMBL2575871 0.90 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPIK3CD
SCHEMBL4476418 0.89 PDE4B (0.49) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20694220 0.88 PDE4B (0.48) PDE4BALDH1A1LMNAMAPT
SCHEMBL20694272 0.88 PDE4B (0.48) PDE4BALDH1A1LMNAMAPT
SCHEMBL13419624 0.88 GPR119 (0.51) PDE4BPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2814379 0.88 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DPIK3CD

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 3 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
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 US 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 (2 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-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.