SCHEMBL3052283

SCHEMBL3052283

CCOC(=O)CCCCCCC#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DGKA P23743 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.43
PAM P19021 2/20 0.43
USP2 O75604 1/20 0.43
KDM4E B2RXH2 1/20 0.42
DUSP3 P51452 1/20 0.42
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL9355503 1.00 CYP1A2 (0.52) CYP1A2ALDH1A1ALOX15TDP1CYP3A4
SCHEMBL9355489 1.00 CYP1A2 (0.52) CYP1A2ALDH1A1ALOX15TDP1CYP3A4
SCHEMBL8657397 1.00 CYP1A2 (0.52) CYP1A2ALDH1A1ALOX15TDP1CYP3A4
SCHEMBL9351131 1.00 CYP1A2 (0.52) CYP1A2ALDH1A1ALOX15TDP1CYP3A4
SCHEMBL9355058 1.00 CYP1A2 (0.52) CYP1A2ALDH1A1ALOX15TDP1CYP3A4
SCHEMBL9355150 1.00 CYP1A2 (0.52) CYP1A2ALDH1A1ALOX15TDP1CYP3A4
SCHEMBL6670792 0.98 CYP1A2 (0.53) CYP1A2ALDH1A1ALOX15TDP1CYP3A4
SCHEMBL9311598 0.92 CYP1A2 (0.55) CYP1A2ALDH1A1ALOX15TDP1CYP3A4
Ammonia Solution, Strong SCHEMBL27604884 0.90 CYP1A2 (0.53) CYP1A2ALDH1A1ALOX15TDP1CYP3A4
SCHEMBL8812591 0.86 SOAT1 (0.45) CYP1A2ALDH1A1ALOX15TDP1CYP3A4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003047-B Method for preparing nitrile by reacting acetone cyanohydrin with alkyl halide 哈尔滨理工大学 2022-05-06 CN disclosed
WO-2018132876-A1 NOVEL GLYCINE TRANSPORT INHIBITORS FOR THE TREATMENT OF PAIN THE UNIVERSITY OF SYDNEY (AU) 2018-07-26 WO disclosed
US-20150322001-A1 OMEGA-3 ANALOGUES THE UNIVERSITY OF SYDNEY (AU) 2015-11-12 US disclosed
US-20150322001-A1 OMEGA-3 ANALOGUES THE UNIVERSITY OF SYDNEY (AU) 2015-11-12 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-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

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-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
US-20150322001-A1 OMEGA-3 ANALOGUES ELOVL3, PTGER3, FFAR3 CYP1A2 1949/4885ALDH1A1 1463/4885ALOX15 18/4885

“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.