SCHEMBL1812927

SCHEMBL1812927

O=C(O)CCCCCCCc1nc(-c2ccccn2)no1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.67
SMN1; SMN2 Q16637 7/20 0.67
RAB9A P51151 7/20 0.67
ALDH1A1 P00352 5/20 0.64
NPSR1 Q6W5P4 1/20 0.64
FAAH O00519 2/20 0.63
CES1 P23141 2/20 0.63
NCEH1 Q6PIU2 1/20 0.63
DAGLA Q9Y4D2 1/20 0.63
HDAC1 Q13547 4/20 0.55
HDAC2 Q92769 4/20 0.55
HDAC8 Q9BY41 3/20 0.55
KDM4E B2RXH2 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.52
S1PR1 P21453 1/20 0.52
AKR1B1 P15121 1/20 0.50

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
SCHEMBL5717831 0.95 NPC1 (0.70) NPC1SMN1; SMN2RAB9AALDH1A1NPSR1
SCHEMBL3517537 0.90 NPC1 (0.68) NPC1SMN1; SMN2RAB9AALDH1A1NPSR1
SCHEMBL15291004 0.86 NPC1 (0.59) NPC1SMN1; SMN2RAB9AALDH1A1NPSR1
SCHEMBL5717616 0.85 NPC1 (0.66) NPC1SMN1; SMN2RAB9AALDH1A1NPSR1
SCHEMBL1810603 0.84 NPC1 (0.57) NPC1SMN1; SMN2RAB9AALDH1A1NPSR1
SCHEMBL7979853 0.84 NPC1 (0.64) NPC1SMN1; SMN2RAB9AALDH1A1NPSR1
SCHEMBL12380049 0.82 NPC1 (0.69) NPC1SMN1; SMN2RAB9AALDH1A1NPSR1
SCHEMBL4034138 0.81 NPC1 (0.65) NPC1SMN1; SMN2RAB9AALDH1A1NPSR1
SCHEMBL5206454 0.81 NPC1 (0.63) NPC1SMN1; SMN2RAB9AALDH1A1NPSR1
SCHEMBL6384896 0.80 NPC1 (0.63) NPC1SMN1; SMN2RAB9AALDH1A1NPSR1

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 17 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-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
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
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 NPC1 1211/4885SMN1; SMN2 3102/4885RAB9A 1969/4885
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 NPC1 1326/4885SMN1; SMN2 3372/4885RAB9A 2227/4885
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 NPC1 1326/4885SMN1; SMN2 3372/4885RAB9A 2227/4885

“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.