SCHEMBL3041780

SCHEMBL3041780

CCOC(=N)CCCCCCC(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 2/20 0.50
DGKA P23743 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 2/20 0.48
PAM P19021 2/20 0.46
USP2 O75604 1/20 0.45
KMT2A Q03164 2/20 0.45
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
NR1I2 O75469 1/20 0.44
PGR P06401 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
PTGS2 P35354 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL13335171 1.00 CYP1A2 (0.55) CYP1A2ALDH1A1ALOX15TDP1TSHR
Hydrochloric Acid SCHEMBL3056090 0.98 CYP1A2 (0.53) CYP1A2ALDH1A1ALOX15TDP1TSHR
SCHEMBL8346387 0.98 CYP1A2 (0.57) CYP1A2ALDH1A1ALOX15TDP1TSHR
SCHEMBL440349 0.87 CYP1A2 (0.70) CYP1A2ALDH1A1ALOX15TDP1TSHR
SCHEMBL495925 0.87 CYP1A2 (0.70) CYP1A2ALDH1A1ALOX15TDP1TSHR
SCHEMBL988320 0.87 GAA (0.39) CYP1A2ALDH1A1ALOX15TDP1TSHR
SCHEMBL19066941 0.87 CYP1A2 (0.70) CYP1A2ALDH1A1ALOX15TDP1TSHR
SCHEMBL6055406 0.87 CYP1A2 (0.70) CYP1A2ALDH1A1ALOX15TDP1TSHR
SCHEMBL33870 0.87 CYP1A2 (0.70) CYP1A2ALDH1A1ALOX15TDP1TSHR
SCHEMBL1483107 0.87 CYP1A2 (0.70) CYP1A2ALDH1A1ALOX15TDP1TSHR

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 10 patents. 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-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-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-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-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
US-5646252-A FOR USE AS A BLOOD PLASMA EXPANDER STAAT DER NEDERLANDEN, DE MINISTER VAN DEFENSIE, VOOR DEZE: HET HOOFD VAN DE AFDELING MILITAIR GENEESKUNDIG BELEID (NL) 1997-07-08 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 (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 CYP1A2 4367/4885ALDH1A1 4814/4885ALOX15 1620/4885
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 CYP1A2 4423/4885ALDH1A1 4799/4885ALOX15 1736/4885
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 CYP1A2 3880/4885ALDH1A1 4836/4885ALOX15 2089/4885

“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.