SCHEMBL10102744

SCHEMBL10102744

O=C(O)CCCCCCCNC(=O)c1cccnc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.69
CYP2C19 P33261 2/20 0.69
CYP1A2 P05177 1/20 0.69
EPHX2 P34913 3/20 0.67
MAPK1 P28482 1/20 0.65
ALDH1A1 P00352 2/20 0.63
KDM4E B2RXH2 1/20 0.63
POLB P06746 1/20 0.63
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
KEAP1 Q14145 1/20 0.61
NFE2L2 Q16236 1/20 0.61
NAMPT P43490 1/20 0.60
LMNA P02545 1/20 0.59
THRB P10828 1/20 0.59
HDAC3 O15379 2/20 0.58
HDAC1 Q13547 2/20 0.58

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
SCHEMBL19246323 1.00 CYP2C9 (0.69) CYP2C9CYP2C19CYP1A2EPHX2MAPK1
SCHEMBL9829860 1.00 CYP2C9 (0.69) CYP2C9CYP2C19CYP1A2EPHX2MAPK1
SCHEMBL9830559 0.99 EPHX2 (0.68) CYP2C9CYP2C19CYP1A2EPHX2MAPK1
SCHEMBL29560373 0.94 EPHX2 (0.70) CYP2C9CYP2C19CYP1A2EPHX2ALDH1A1
SCHEMBL678984 0.94 EPHX2 (0.70) CYP2C9CYP2C19CYP1A2EPHX2ALDH1A1
SCHEMBL5483064 0.91 EPHX2 (0.73) CYP2C9CYP2C19CYP1A2EPHX2ALDH1A1
SCHEMBL9763664 0.91 EPHX2 (0.73) CYP2C9CYP2C19CYP1A2EPHX2ALDH1A1
SCHEMBL17822214 0.89 EPHX2 (0.75) CYP2C9CYP2C19CYP1A2EPHX2ALDH1A1
SCHEMBL29775260 0.88 RAB9A (0.68) CYP2C9CYP2C19CYP1A2EPHX2ALDH1A1
SCHEMBL1520738 0.88 RAB9A (0.68) CYP2C9CYP2C19CYP1A2EPHX2ALDH1A1

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
EP-2409569-B1 Method for administering GLP-1 molecules EMISPHERE TECH INC (US) 2017-08-16 EP disclosed
EP-1478233-B1 METHOD FOR ADMINISTERING GLP-1 MOLECULES EMISPHERE TECH INC (US) 2016-11-09 EP disclosed
US-20150202296-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2015-07-23 US disclosed
US-20150202296-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2015-07-23 US disclosed
US-8492330-B2 Formulation comprising GLP-1 EMISPHERE TECHNOLOGIES, INC. (US) 2013-07-23 US disclosed
US-8492330-B2 Formulation comprising GLP-1 EMISPHERE TECHNOLOGIES, INC. (US) 2013-07-23 US disclosed
EP-2409569-A2 Method for administering GLP-1 molecules Emisphere Technologies, Inc. (US) 2012-01-25 EP disclosed
US-20110178006-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES EMISPHERE TECHNOLOGIES, INC. (US) 2011-07-21 US disclosed
US-20110178006-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES EMISPHERE TECHNOLOGIES, INC. (US) 2011-07-21 US disclosed
US-7939494-B2 Method for administering GLP-1 molecules EMISPHERE TECHNOLOGIES, INC. (US) 2011-05-10 US disclosed
US-7939494-B2 Method for administering GLP-1 molecules EMISPHERE TECHNOLOGIES, INC. (US) 2011-05-10 US disclosed
US-20090286735-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2009-11-19 US disclosed
US-20090286735-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2009-11-19 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-20150202296-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES GLP1R, GIPR, GPR119 CYP2C9 1591/4885CYP2C19 1075/4885CYP1A2 2415/4885
US-20110178006-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES GLP1R, GIPR, GPR119 CYP2C9 1591/4885CYP2C19 1075/4885CYP1A2 2415/4885
US-20090286735-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES GLP1R, GIPR, GPR119 CYP2C9 1591/4885CYP2C19 1075/4885CYP1A2 2415/4885

“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.