SCHEMBL5645971

SCHEMBL5645971

COCOC(=O)c1cccc2c(CC(C)(C)NC(=O)OC(C)(C)C)c[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CLEC4M Q9H2X3 1/20 0.42
TACR1 P25103 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
NR4A2 P43354 2/20 0.36
CTSL P07711 2/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
ACE P12821 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
Methyl Alcohol SCHEMBL5645975 0.91 MAPT (0.55) MAPTHTTKDM4EALDH1A1LMNA
SCHEMBL5648096 0.85 MAPT (0.41) MAPTHTTKDM4EALDH1A1LMNA
SCHEMBL5649466 0.82 TACR1 (0.42) MAPTHTTKDM4EALDH1A1LMNA
SCHEMBL5647087 0.78 MTNR1A (0.40) MAPTHTTKDM4EALDH1A1LMNA
SCHEMBL5644205 0.77 ADRB3 (0.47) KDM4EALDH1A1HPGDL3MBTL1TACR1
SCHEMBL5646577 0.77 MAPT (0.40) MAPTHTTKDM4EALDH1A1LMNA
SCHEMBL5646572 0.77 MAPT (0.40) MAPTHTTKDM4EALDH1A1LMNA
SCHEMBL5646889 0.76 HTR2A (0.43) MAPTTACR1MTNR1AMTNR1BCTSL
SCHEMBL5646191 0.76 MPO (0.49) MAPTHTTTACR1SMN1; SMN2MTNR1A
SCHEMBL5645027 0.76 LTA4H (0.54) TACR1MTNR1AMTNR1BCTSLCTSS

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-7208505-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-04-24 US disclosed
EP-1421078-B1 INDOLE DERIVATIVES AS BETA-3 ADRENERGIC AGONISTS FOR THE TREATMENT OF TYPE 2 DIABETES LILLY CO ELI (US) 2006-09-27 EP disclosed
US-7087635-B2 3-substituted oxindole β3 agonists ELI LILLY AND COMPANY (US) 2006-08-08 US 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-20050080110-A1 Beta 3 adrenergic agonists SALL DANIEL JON (US) 2005-04-14 US disclosed
US-20040242668-A1 3-substituted oxindole beta-3 agonists SALL DANIEL JON (US) 2004-12-02 US disclosed
EP-1444224-A2 3-SUBSTITUTED OXINDOLE BETA-3 AGONISTS ELI LILLY AND COMPANY (US) 2004-08-11 EP disclosed
EP-1421078-A1 BETA-3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2004-05-26 EP disclosed
WO-2003016307-A1 β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-02-27 WO 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 (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-20040242668-A1 3-substituted oxindole beta-3 agonists ADRB3, ADRB2, ADRB1 MAPT 3614/4885HTT 3896/4885KDM4E 3972/4885
US-20050159473-A1 3-Substituted oxindole beta3 agonists ADRB3, ADRB2, ADRB1 MAPT 3541/4885HTT 4035/4885KDM4E 3960/4885
US-20050080110-A1 Beta 3 adrenergic agonists ADRB3, ADRB2, ADRB1 MAPT 3101/4885HTT 4419/4885KDM4E 3778/4885

“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.