SCHEMBL2003108

SCHEMBL2003108

Cc1ccccc1-c1ccncc1N[C@@H](C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.45
GPBAR1 Q8TDU6 14/20 0.43
MCL1 Q07820 1/20 0.41
PIP4K2A P48426 1/20 0.39
LIMK1 P53667 1/20 0.39

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
Hydrochloric Acid SCHEMBL5508376 0.99 KDM4C (0.44) KDM4CGPBAR1MCL1PIP4K2ALIMK1
SCHEMBL3903670 0.91 GPBAR1 (0.47) KDM4CGPBAR1MCL1PIP4K2A
SCHEMBL2000076 0.85 GSK3B (0.44) KDM4CGPBAR1PIP4K2A
SCHEMBL3150902 0.85 LIMK1 (0.48) KDM4CGPBAR1PIP4K2ALIMK1
SCHEMBL3151005 0.85 GSK3B (0.50) KDM4CPIP4K2A
SCHEMBL3151007 0.85 GSK3B (0.50) KDM4CPIP4K2A
SCHEMBL2004844 0.84 KDM4C (0.43) KDM4CGPBAR1MCL1PIP4K2A
SCHEMBL16628650 0.81 GPBAR1 (0.47) KDM4CGPBAR1
SCHEMBL2005702 0.80 GPBAR1 (0.45) KDM4CGPBAR1LIMK1
SCHEMBL6635011 0.80 MAPT (0.51) GPBAR1LIMK1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773877-B1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP claimed
EP-2021354-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS Brystol-Myers Squibb Company (US) 2009-02-11 EP claimed
EP-1891106-A2 NOVEL COMPOUNDS AS GLP-I AGONISTS CADILA HEALTHCARE LTD. (IN) 2008-02-27 EP claimed
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
WO-2007140284-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO claimed
EP-1773877-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Bristol-Myers Squibb Company (US) 2007-04-18 EP claimed
WO-2007017892-A2 NOVEL COMPOUNDS AS GLP-I AGONISTS CADILA HEALTHCARE LIMITED (IN) 2007-02-15 WO claimed
US-20070021346-A1 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-01-25 US claimed
US-20060287242-A1 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US claimed
WO-2006127948-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 WO claimed
WO-2006014287-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-09 WO claimed
US-7960349-B2 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
EP-1773877-B1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP disclosed
US-20100022457-A1 Sustained release glp-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 US disclosed
US-7534763-B2 Sustained release GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-19 US disclosed
US-20070021346-A1 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-01-25 US disclosed
US-20060287242-A1 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US disclosed
WO-2006127948-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 WO disclosed
WO-2006014287-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-09 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-20070021346-A1 N-terminally modified GLP-1 receptor modulators GLP1R, GIPR, IAPP KDM4C 3122/4885GPBAR1 178/4885MCL1 1521/4885
US-20060287242-A1 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions GLP1R, GIPR, IAPP KDM4C 3162/4885GPBAR1 140/4885MCL1 1506/4885
US-20100022457-A1 Sustained release glp-1 receptor modulators GLP1R, GIPR, GRPR KDM4C 4033/4885GPBAR1 17/4885MCL1 3247/4885
US-20080045461-A1 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, IAPP KDM4C 3164/4885GPBAR1 153/4885MCL1 1531/4885

“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.