SCHEMBL1809145

SCHEMBL1809145

COC(=O)CCCCc1nc(-c2ccsc2)co1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.41
ADORA2A P29274 4/20 0.41
HPGD P15428 1/20 0.41
ADORA3 P0DMS8 3/20 0.40
ADORA2B P29275 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
LMNA P02545 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
MAPT P10636 1/20 0.37
FPR2 P25090 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36

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
SCHEMBL1809135 0.86 GABRP (0.46) ADORA1ADORA2AADORA3ADORA2BDAGLA
SCHEMBL3048357 0.83 DAGLA (0.54) HPGDMAPTFPR2DAGLALTB4R
SCHEMBL630546 0.78 RXRA (0.37) ADORA1ADORA2AHPGDADORA3ADORA2B
SCHEMBL12419638 0.78 S1PR1 (0.33) ADORA1ADORA2AADORA3ADORA2BS1PR1
SCHEMBL3045258 0.75 FPR2 (0.40) HPGDMAPTFPR2DAGLALTB4R
SCHEMBL24105968 0.73 S1PR1 (0.46) ADORA1ADORA2AADORA3ADORA2BS1PR1
SCHEMBL3047857 0.73 KMO (0.40) HPGDKDM4ELMNAS1PR1MAPT
SCHEMBL1808837 0.73 FPR2 (0.38) HPGDPDE3BPDE3AP2RY12LMNA
SCHEMBL3046311 0.73 FPR2 (0.42) HPGDKDM4EPDE3BPDE3AP2RY12
SCHEMBL24258815 0.73 HPGD (0.39) HPGDPDE3BPDE3AP2RY12MAPT

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-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-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
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
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 ADORA1 958/4885ADORA2A 2377/4885HPGD 4158/4885
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 ADORA1 1308/4885ADORA2A 2409/4885HPGD 3808/4885
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 ADORA1 1308/4885ADORA2A 2409/4885HPGD 3808/4885

“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.