SCHEMBL3035463

SCHEMBL3035463

COc1ccccc1-c1nc(CCCCC(=O)O)no1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.51
RAB9A P51151 8/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
RXRA P19793 1/20 0.47
ALDH1A1 P00352 7/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 7/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 7/20 0.46
PPARD Q03181 1/20 0.46
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 3/20 0.45
PKM P14618 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
FAAH O00519 1/20 0.44
FABP3 P05413 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
SCHEMBL3042022 0.89 NPC1 (0.47) NPC1RAB9AL3MBTL1NPSR1TDP1
SCHEMBL3045765 0.83 CHUK (0.59) NPC1RAB9AL3MBTL1TDP1RXRA
SCHEMBL3046287 0.79 L3MBTL1 (0.62) NPC1RAB9AL3MBTL1ALDH1A1TSHR
SCHEMBL92319 0.76 RAB9A (0.58) NPC1RAB9AL3MBTL1NPSR1TDP1
SCHEMBL3041482 0.76 PPARA (0.51) NPC1RAB9AL3MBTL1NPSR1RXRA
SCHEMBL3039009 0.76 FAAH (0.52) RXRAPPARDFAAHFABP3FABP4
SCHEMBL3047953 0.76 RAB9A (0.54) NPC1RAB9ANPSR1TDP1ALDH1A1
SCHEMBL3043110 0.76 CHUK (0.51) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL13461952 0.75 RAB9A (0.57) NPC1RAB9AL3MBTL1NPSR1TDP1
SCHEMBL379161 0.75 RAB9A (0.60) NPC1RAB9AL3MBTL1NPSR1TDP1

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 9 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

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 NPC1 1244/4885RAB9A 1967/4885L3MBTL1 2363/4885
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 NPC1 1211/4885RAB9A 1969/4885L3MBTL1 2203/4885
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 NPC1 936/4885RAB9A 1393/4885L3MBTL1 2947/4885

“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.