SCHEMBL8256402

SCHEMBL8256402

CN[C@@H](Cc1ccc(-c2ccccc2Cl)cc1)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 3/20 0.50
▸ ITGA4 P13612 7/20 0.47
▸ ITGB7 P26010 7/20 0.47
▸ ITGB1 P05556 6/20 0.47
▸ MAOB P27338 2/20 0.44
▸ CYP2A6 P11509 1/20 0.43
▸ HCAR2 Q8TDS4 2/20 0.43
▸ DHODH Q02127 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ PAK1 Q13153 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ CPA1 P15085 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40

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
SCHEMBL8227873 0.84 MME (0.51) MMEITGA4ITGB7ITGB1ACE
SCHEMBL15219916 0.84 MME (0.51) MMEITGA4ITGB7ITGB1ACE
SCHEMBL20976910 0.84 MME (0.54) MMEACECPA1ACE2
SCHEMBL14598295 0.84 MME (0.54) MMEACECPA1ACE2
SCHEMBL8228374 0.84 MME (0.54) MMEACECPA1ACE2
SCHEMBL8227650 0.83 PPARA (0.51) MMEITGA4ITGB7ITGB1ACE
SCHEMBL8227806 0.83 MME (0.50) MMEHCAR2ACECPA1ACE2
SCHEMBL15219919 0.83 MME (0.50) MMEHCAR2ACECPA1ACE2
SCHEMBL14345714 0.81 MAOB (0.51) MMEITGA4ITGB7ITGB1MAOB
SCHEMBL13227726 0.81 PPARG (0.51) ITGA4ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960349-B2 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 — — US disclosed
US-7960349-B2 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 — — US disclosed
US-20100022457-A1 Sustained release glp-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 — — US 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-7534763-B2 Sustained release GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-19 — — US disclosed
US-20080242593-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2008-10-02 — — US disclosed
US-20080242593-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2008-10-02 — — US disclosed
US-7417028-B2 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 — — US disclosed
US-7417028-B2 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 — — US disclosed
US-20080045461-A1 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080045461-A1 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20070099835-A1 Sustained release GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 — — US disclosed
US-20070099835-A1 Sustained release GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 — — US disclosed
US-20070021346-A1 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-01-25 — — US 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
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 (5 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 MME 294/4885ITGA4 4458/4885ITGB7 4354/4885
US-20080242593-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, GIPR, IAPP MME 490/4885ITGA4 4559/4885ITGB7 4587/4885
US-20100022457-A1 Sustained release glp-1 receptor modulators GLP1R, GIPR, GRPR MME 1198/4885ITGA4 4734/4885ITGB7 4700/4885
US-20080045461-A1 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, IAPP MME 356/4885ITGA4 4423/4885ITGB7 4287/4885
US-20070099835-A1 Sustained release GLP-1 receptor modulators GLP1R, GIPR, GRPR MME 1198/4885ITGA4 4734/4885ITGB7 4700/4885

“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.

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