SCHEMBL5732741

SCHEMBL5732741

O=C1Nc2ccccc2C1OC1CCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
IDO1 P14902 3/20 0.41
GSK3B P49841 2/20 0.40
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDO2 P48775 1/20 0.35
HTR5A P47898 1/20 0.35
BRPF1 P55201 1/20 0.35
CREBBP Q92793 1/20 0.35

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
SCHEMBL5354658 0.97 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL5736067 0.95 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL7072166 0.84 IDO1 (0.49) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL5275526 0.73 MAPT (0.51) IDO1GSK3BALDH1A1MAPTKDM4E
SCHEMBL6137734 0.73 IDO1 (0.45) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL4763337 0.73 IDO1 (0.45) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL4761869 0.73 IDO1 (0.45) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL16566268 0.71 IDO1 (0.44) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL7252422 0.69 IDO1 (0.45) PDE4APDE4BPDE4CPDE4DIDO1
SCHEMBL7927054 0.69 IDO1 (0.45) PDE4APDE4BPDE4CPDE4DIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122680-B2 3-Substituted oxindole β3 agonsists ELI LILLY AND COMPANY (US) 2006-10-17 US disclosed
US-7087635-B2 3-substituted oxindole β3 agonists ELI LILLY AND COMPANY (US) 2006-08-08 US disclosed
EP-1341759-B1 3-SUBSTITUTED OXINDOLE BETA 3 AGONISTS LILLY CO ELI (US) 2006-06-14 EP disclosed
EP-1444224-B1 3-SUBSTITUTED OXINDOLE BETA-3 AGONISTS LILLY CO ELI (US) 2006-05-03 EP disclosed
US-20050159473-A1 3-Substituted oxindole beta3 agonists SALL DANIEL J (US) 2005-07-21 US disclosed
US-6911463-B2 3-substituted oxindole β-3 agonists ELI LILLY AND COMPANY (US) 2005-06-28 US disclosed
US-20050054713-A1 3-Substituted oxindole beta3 agonists JESUDASON CYNTHIA DARSHINI (US) 2005-03-10 US disclosed
US-20040242668-A1 3-substituted oxindole beta-3 agonists SALL DANIEL JON (US) 2004-12-02 US disclosed
US-6825220-B2 INVOLVES THE RELATIONSHIP BETWEEN ADRENERGIC RECEPTOR STIMULATION AND ANTI-HYPERGLYCEMIC EFFECTS ELI LILLY AND COMPANY 2004-11-30 US disclosed
EP-1444224-A2 3-SUBSTITUTED OXINDOLE BETA-3 AGONISTS ELI LILLY AND COMPANY (US) 2004-08-11 EP disclosed
US-20040097532-A1 3-Substituted oxindole beta 3 agonists ELI LILLY AND COMPANY 2004-05-20 US disclosed
WO-2003016276-A2 3-SUBSTITUTED OXINDOLE BETA-3 AGONISTS ELI LILLY AND COMPANY (US) 2003-02-27 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 (4 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-20040242668-A1 3-substituted oxindole beta-3 agonists ADRB3, ADRB2, ADRB1 PDE4A 436/4885PDE4B 488/4885PDE4C 747/4885
US-20050054713-A1 3-Substituted oxindole beta3 agonists ADRB3, ADRB2, ADRB1 PDE4A 561/4885PDE4B 765/4885PDE4C 1068/4885
US-20050159473-A1 3-Substituted oxindole beta3 agonists ADRB3, ADRB2, ADRB1 PDE4A 463/4885PDE4B 599/4885PDE4C 871/4885
US-20040097532-A1 3-Substituted oxindole beta 3 agonists ADRB3, ADRB2, ADRB1 PDE4A 530/4885PDE4B 728/4885PDE4C 958/4885

“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.