SCHEMBL2005702

SCHEMBL2005702

COc1ccc(-c2ccncc2N[C@@H](C)C(=O)O)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.45
GSK3B P49841 4/20 0.41
ROCK1 Q13464 3/20 0.41
GSK3A P49840 3/20 0.41
RPS6KA5 O75582 2/20 0.41
PRKACA P17612 2/20 0.41
RPS6KB1 P23443 2/20 0.41
CDK2 P24941 2/20 0.41
MAPK1 P28482 2/20 0.41
AKT1 P31749 2/20 0.41
AKT2 P31751 2/20 0.41
RPS6KA3 P51812 2/20 0.41
PRKX P51817 2/20 0.41
PRKCD Q05655 2/20 0.41
PRKG2 Q13237 2/20 0.41
PRKG1 Q13976 2/20 0.41
PKN2 Q16513 2/20 0.41
CDC42BPA Q5VT25 2/20 0.41
HIPK4 Q8NE63 2/20 0.41
CLK4 Q9HAZ1 2/20 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
SCHEMBL1999985 0.86 KDM4C (0.44) ROCK1KDM4CCYP11B1CYP11B2LIMK1
SCHEMBL3156833 0.81 SLC22A12 (0.52) GSK3BROCK1GSK3ARPS6KA5PRKACA
SCHEMBL2003108 0.80 KDM4C (0.45) GPBAR1KDM4CLIMK1
Hydrochloric Acid SCHEMBL5508376 0.79 KDM4C (0.44) GPBAR1KDM4CLIMK1
SCHEMBL2001092 0.75 GSK3B (0.40) GPBAR1GSK3BGSK3ARPS6KA3KDM4C
SCHEMBL3903670 0.75 GPBAR1 (0.47) GPBAR1GSK3BGSK3AKDM4C
SCHEMBL4961424 0.75 GPBAR1 (0.48) GPBAR1GSK3BROCK1GSK3APRKACA
SCHEMBL2003847 0.74 KDM4C (0.38) GSK3BKDM4C
SCHEMBL3151005 0.73 GSK3B (0.50) GSK3BGSK3AKDM4CCYP3A4CYP2C9
SCHEMBL3151007 0.73 GSK3B (0.50) GSK3BGSK3AKDM4CCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045461-A1 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US claimed
EP-1883652-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2008-02-06 EP claimed
US-20070021346-A1 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-01-25 US claimed
WO-2006127948-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 WO claimed
US-7960349-B2 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
EP-2021354-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS Brystol-Myers Squibb Company (US) 2009-02-11 EP disclosed
US-20080045461-A1 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
EP-1883652-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2008-02-06 EP disclosed
WO-2007140284-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO disclosed
US-20070021346-A1 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-01-25 US disclosed
WO-2006127948-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 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-20070021346-A1 N-terminally modified GLP-1 receptor modulators GLP1R, GIPR, IAPP GPBAR1 178/4885GSK3B 3067/4885ROCK1 3009/4885
US-20080045461-A1 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, IAPP GPBAR1 153/4885GSK3B 3168/4885ROCK1 2999/4885

“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.