SCHEMBL1809135

SCHEMBL1809135

O=C(O)CCCCc1nc(-c2ccsc2)co1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
NR4A2 P43354 2/20 0.42
DAGLA Q9Y4D2 1/20 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
SCHEMBL1809145 0.86 ADORA1 (0.41) DAGLACES1ADORA1ADORA2ALTB4R
SCHEMBL12622465 0.83 CES1 (0.56) RXRARXRBNR4A2DAGLACES1
SCHEMBL3045887 0.81 DAGLA (0.60) RXRARXRBNR4A2DAGLACES1
SCHEMBL12419638 0.81 S1PR1 (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4331346 0.78 LTB4R (0.47) RXRARXRBNR4A2DAGLACES1
SCHEMBL4329816 0.78 DAGLA (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12622454 0.77 MCL1 (0.50) RXRARXRBNR4A2DAGLACES1
SCHEMBL12622463 0.77 TBXAS1 (0.55) RXRARXRBNR4A2DAGLACES1
SCHEMBL630811 0.76 RXRA (0.47) RXRARXRBFOLH1RXRGLTB4R
SCHEMBL12622456 0.76 RXRA (0.39) RXRARXRBNR4A2DAGLAFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546581-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (Glp)-1 compound or a melanocortin-4 receptor (Mc4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2013-10-01 US disclosed
US-8546581-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (Glp)-1 compound or a melanocortin-4 receptor (Mc4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2013-10-01 US disclosed
US-8546581-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (Glp)-1 compound or a melanocortin-4 receptor (Mc4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2013-10-01 US disclosed
US-20110190205-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide EMISPHERE TECHNOLOGIES, INC. (US) 2011-08-04 US disclosed
US-20110190205-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide EMISPHERE TECHNOLOGIES, INC. (US) 2011-08-04 US disclosed
US-20110190205-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide EMISPHERE TECHNOLOGIES, INC. (US) 2011-08-04 US disclosed
US-7947841-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (GLP)-1 compound or a melanocortin-4 receptor (MC4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2011-05-24 US disclosed
US-7947841-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (GLP)-1 compound or a melanocortin-4 receptor (MC4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2011-05-24 US disclosed
US-7947841-B2 Compounds, methods and formulations for the oral delivery of a glucagon-like peptide (GLP)-1 compound or a melanocortin-4 receptor (MC4) agonist peptide EMISPHERE TECHNOLOGIES, INC. (US) 2011-05-24 US disclosed
US-20090239798-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide EMISPHERE TECHNOLOGIES, INC. (US) 2009-09-24 US disclosed
US-20090239798-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide EMISPHERE TECHNOLOGIES, INC. (US) 2009-09-24 US disclosed
CN-100398536-C Compounds, methods and formulations for the oral delivery of a glucagon like peptide (glp)-1 compound or an melanocortin 4 receptor (mc4) agonist peptide LILLY CO ELI (US) 2008-07-02 CN disclosed
US-20070293423-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide ELI LILLY AND COMPANY (US) 2007-12-20 US disclosed
US-20070293423-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide ELI LILLY AND COMPANY (US) 2007-12-20 US disclosed
US-20070293423-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide ELI LILLY AND COMPANY (US) 2007-12-20 US disclosed
EP-1658285-B1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE LILLY CO ELI (US) 2007-05-02 EP disclosed
EP-1658285-B1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE LILLY CO ELI (US) 2007-05-02 EP disclosed
CN-1832944-A Compounds, methods and formulations for the oral delivery of a glucagon like peptide (glp)-1 compound or an melanocortin 4 receptor (mc4) agonist peptide LILLY CO ELI (US) 2006-09-13 CN disclosed
EP-1658285-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE ELI LILLY AND COMPANY (US) 2006-05-24 EP disclosed
WO-2005019212-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE ELI LILLY AND COMPANY (US) 2005-03-03 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 (3 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-20070293423-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide MC4R, GLP1R, MC3R GABRP 1457/4885GABRD 2149/4885GABRA1 1089/4885
US-20090239798-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide MC4R, GLP1R, MC3R GABRP 815/4885GABRD 1448/4885GABRA1 773/4885
US-20110190205-A1 Compounds, Methods and Formulations for the Oral Delivery of a Glucagon-Like Peptide (Glp)-1 Compound or a Melanocortin-4 Receptor (Mc4) Agonist Peptide MC4R, GLP1R, MC3R GABRP 815/4885GABRD 1448/4885GABRA1 773/4885

“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.