SCHEMBL1998938

SCHEMBL1998938

Cc1ccccc1-c1ccc(CO)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.47
CD274 Q9NZQ7 2/20 0.47
CYP11B1 P15538 6/20 0.43
CYP11B2 P19099 4/20 0.43
IDO1 P14902 1/20 0.42
METAP2 P50579 1/20 0.42
CYP1A2 P05177 4/20 0.39
CYP2C19 P33261 4/20 0.39
CYP2D6 P10635 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 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
SCHEMBL16801759 0.84 NPC1 (0.44) PDCD1CD274CYP11B1CYP11B2IDO1
SCHEMBL12568272 0.83 CYP11B1 (0.43) PDCD1CD274CYP11B1CYP11B2IDO1
SCHEMBL5991772 0.83 CYP11B1 (0.43) PDCD1CD274CYP11B1CYP11B2IDO1
SCHEMBL26052512 0.81 SMN1; SMN2 (0.48) PDCD1CD274CYP11B1CYP11B2IDO1
Bromide SCHEMBL2002010 0.81 CYP11B1 (0.42) PDCD1CD274CYP11B1CYP11B2IDO1
SCHEMBL1441117 0.81 PDCD1 (0.43) PDCD1CD274CYP11B1CYP11B2TP53
SCHEMBL18729757 0.80 CYP11B1 (0.44) PDCD1CD274CYP11B1CYP11B2IDO1
SCHEMBL18814933 0.80 S1PR1 (0.41) PDCD1CD274CYP11B1CYP11B2IDO1
Bromide SCHEMBL27697063 0.79 CYP11B1 (0.40) PDCD1CD274CYP11B1CYP11B2IDO1
SCHEMBL14601307 0.79 CYP11B1 (0.40) PDCD1CD274CYP11B1CYP11B2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101010339-B Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO 2011-11-09 CN disclosed
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-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-20100022457-A1 Sustained release glp-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 US disclosed
CN-101495502-A N-terminally modified GLP-1 receptor modulators BRISTOL MYERS SQUIBB CO (US) 2009-07-29 CN 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-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-20070099835-A1 Sustained release GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 US disclosed
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 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
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 PDCD1 1616/4885CD274 2149/4885CYP11B1 3426/4885
US-20060287242-A1 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions GLP1R, GIPR, IAPP PDCD1 1848/4885CD274 2097/4885CYP11B1 2118/4885
US-20100022457-A1 Sustained release glp-1 receptor modulators GLP1R, GIPR, GRPR PDCD1 2482/4885CD274 2061/4885CYP11B1 3739/4885
US-20070099835-A1 Sustained release GLP-1 receptor modulators GLP1R, GIPR, GRPR PDCD1 2482/4885CD274 2061/4885CYP11B1 3739/4885

“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.