SCHEMBL3048223

SCHEMBL3048223

COC(=O)CCCCc1csc(-c2ccccc2OC)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 2/20 0.55
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
MAPT P10636 2/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP19A1 P11511 1/20 0.43
SREBF2 Q12772 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43

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
SCHEMBL3042135 0.87 HTR2B (0.45) SHMT2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7368584 0.83 HSD17B10 (0.53) KDM4EALDH1A1HSD17B10RAB9ANPC1
SCHEMBL3048349 0.81 HDAC3 (0.61) KDM4EALDH1A1HPGDMAPTCYP19A1
SCHEMBL3049749 0.78 KMT2A (0.48) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL8847610 0.77 KDM4E (0.79) SHMT2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30671746 0.76 SHMT2 (0.57) SHMT2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15356484 0.76 SHMT2 (0.57) SHMT2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3043069 0.76 HPGD (0.54) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL3052337 0.74 RXRA (0.51) ALDH1A1HPGDHSD17B10RAB9AMAPT
SCHEMBL11266906 0.74 GABRA5 (0.47) ALDH1A1HPGDHSD17B10RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765796-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) 2014-07-01 US disclosed
US-8765796-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) 2014-07-01 US disclosed
US-8765796-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) 2014-07-01 US disclosed
US-20140031287-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MIC4) AGONIST PEPTIDE EMISPHERE TECHNOLOGIES, INC. (US) 2014-01-30 US disclosed
US-20140031287-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MIC4) AGONIST PEPTIDE EMISPHERE TECHNOLOGIES, INC. (US) 2014-01-30 US disclosed
US-20140031287-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MIC4) AGONIST PEPTIDE EMISPHERE TECHNOLOGIES, INC. (US) 2014-01-30 US disclosed
US-8552039-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) 2013-10-08 US disclosed
US-8552039-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) 2013-10-08 US disclosed
US-8552039-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) 2013-10-08 US disclosed
US-20100120876-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) 2010-05-13 US disclosed
US-7662771-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) 2010-02-16 US disclosed
US-7662771-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) 2010-02-16 US disclosed
US-7662771-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) 2010-02-16 US disclosed
US-20080214448-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) 2008-09-04 US disclosed
US-20080214448-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) 2008-09-04 US disclosed
US-20080214448-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) 2008-09-04 US disclosed
EP-1658273-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) 2007-01-03 EP disclosed
EP-1658273-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) 2007-01-03 EP disclosed
EP-1658273-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-2005019184-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-20100120876-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 SHMT2 3177/4885KDM4E 1768/4885ALDH1A1 4814/4885
US-20080214448-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 SHMT2 3196/4885KDM4E 1662/4885ALDH1A1 4799/4885
US-20140031287-A1 COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON-LIKE PEPTIDE (GLP-1) COMPOUND OR A MELANOCORTIN-4 RECEPTOR (MIC4) AGONIST PEPTIDE MC4R, GLP1R, MC3R SHMT2 2890/4885KDM4E 1942/4885ALDH1A1 4836/4885

“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.