SCHEMBL12568326

SCHEMBL12568326

CN[C@@H](Cc1ccc(-c2ccccc2Cl)nc1)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.41
▸ PDCD1 Q15116 2/20 0.40
▸ CD274 Q9NZQ7 2/20 0.40
▸ ITGB1 P05556 2/20 0.39
▸ ITGA5 P08648 2/20 0.39
▸ HPGDS O60760 4/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGAV P06756 1/20 0.38
▸ ECE1 P42892 2/20 0.37
▸ ABL1 P00519 2/20 0.37
▸ MME P08473 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ LIMK1 P53667 1/20 0.35
▸ CTSA P10619 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 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
SCHEMBL15219914 0.86 PDCD1 (0.43) PDCD1CD274ITGB1HPGDSECE1
SCHEMBL12568307 0.86 PDCD1 (0.43) PDCD1CD274ITGB1HPGDSECE1
SCHEMBL12568312 0.85 CD274 (0.40) PDCD1CD274HPGDSECE1
SCHEMBL12568313 0.85 CYP11B1 (0.49) DHODHPDCD1CD274ITGB1ECE1
SCHEMBL12568315 0.84 USP1 (0.40) PDCD1CD274HPGDSECE1
SCHEMBL12568314 0.83 ECE1 (0.52) ITGB1ECE1MMEHDAC1
SCHEMBL8228375 0.83 BAZ2B (0.50) HPGDSECE1
SCHEMBL12568309 0.83 BAZ2B (0.50) HPGDSECE1
SCHEMBL12568325 0.82 CYP1A2 (0.42) PDCD1CD274ITGB1HPGDSMME
SCHEMBL12568352 0.81 ECE1 (0.45) PDCD1CD274ECE1CTSA

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 16 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

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 DHODH 4835/4885PDCD1 1616/4885CD274 2149/4885
US-20080242593-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, GIPR, IAPP DHODH 4697/4885PDCD1 1489/4885CD274 1883/4885
US-20100022457-A1 Sustained release glp-1 receptor modulators GLP1R, GIPR, GRPR DHODH 4696/4885PDCD1 2482/4885CD274 2061/4885
US-20080045461-A1 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, IAPP DHODH 4837/4885PDCD1 1725/4885CD274 2301/4885
US-20070099835-A1 Sustained release GLP-1 receptor modulators GLP1R, GIPR, GRPR DHODH 4696/4885PDCD1 2482/4885CD274 2061/4885

“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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