SCHEMBL5733348

SCHEMBL5733348

COc1cccc2c1C(Cc1ccccc1)C(=O)N2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.46
MAPT P10636 4/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GSK3B P49841 2/20 0.45
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
CREBBP Q92793 2/20 0.43
BRD4 O60885 1/20 0.43
GFER P55789 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRB3 P13945 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL5732528 0.79 MAPT (0.41) MAPTKDM4ECREBBPMEN1ALDH1A1
SCHEMBL5733322 0.78 GSK3B (0.48) MAPTKDM4EGAAL3MBTL1GSK3B
SCHEMBL17070929 0.77 GSK3B (0.58) MAPTKDM4EGAAL3MBTL1GSK3B
SCHEMBL5732983 0.76 CREBBP (0.46) MAPTKDM4EGAACREBBPBRD4
SCHEMBL6746665 0.74 GSK3B (0.44) MAPTKDM4EGAAL3MBTL1GSK3B
SCHEMBL7825637 0.72 GSK3B (0.77) MAPTKDM4EGAAL3MBTL1GSK3B
SCHEMBL5732840 0.72 CREBBP (0.40) MAPTKDM4ECREBBPMEN1ALDH1A1
SCHEMBL16108760 0.71 POLB (0.45) MAPTKDM4ECREBBPALDH1A1HPGD
SCHEMBL18025766 0.70 GSK3B (0.68) MAPTKDM4EGAAL3MBTL1GSK3B
SCHEMBL320007 0.68 HSD17B10 (0.53) SIRT2MAPTKDM4EGAAL3MBTL1

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 7 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
EP-1341759-B1 3-SUBSTITUTED OXINDOLE BETA 3 AGONISTS LILLY CO ELI (US) 2006-06-14 EP disclosed
US-20050054713-A1 3-Substituted oxindole beta3 agonists JESUDASON CYNTHIA DARSHINI (US) 2005-03-10 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
US-20040097532-A1 3-Substituted oxindole beta 3 agonists ELI LILLY AND COMPANY 2004-05-20 US disclosed
EP-1341759-A2 3-SUBSTITUTED OXINDOLE BETA 3 AGONISTS ELI LILLY AND COMPANY (US) 2003-09-10 EP disclosed
WO-2002038544-A2 3-SUBSTITUTED OXINDOLE BETA 3 AGONISTS ELI LILLY AND COMPANY (US) 2002-05-16 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 (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-20050054713-A1 3-Substituted oxindole beta3 agonists ADRB3, ADRB2, ADRB1 SIRT2 1366/4885MAPT 2917/4885KDM4E 4223/4885
US-20040097532-A1 3-Substituted oxindole beta 3 agonists ADRB3, ADRB2, ADRB1 SIRT2 1754/4885MAPT 3301/4885KDM4E 4404/4885

“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.