SCHEMBL10102739

SCHEMBL10102739

O=C(O)CCCCCCCNC(=O)c1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
MAPK1 P28482 1/20 0.78
NAAA Q02083 1/20 0.69
ALDH1A1 P00352 4/20 0.61
POLB P06746 2/20 0.61
KDM4E B2RXH2 2/20 0.61
HDAC3 O15379 3/20 0.59
HDAC1 Q13547 3/20 0.59
LMNA P02545 1/20 0.57
RAB9A P51151 1/20 0.56
HDAC6 Q9UBN7 4/20 0.56
HDAC4 P56524 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55

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
SCHEMBL7825903 0.93 CYP1A2 (0.88) CYP1A2CYP2C9CYP2C19MAPK1NAAA
SCHEMBL16469025 0.90 NAAA (0.83) CYP1A2CYP2C9CYP2C19MAPK1NAAA
SCHEMBL428355 0.88 MAPK1 (1.00) CYP1A2CYP2C9CYP2C19MAPK1NAAA
SCHEMBL3203823 0.86 CYP1A2 (0.76) CYP1A2CYP2C9CYP2C19MAPK1NAAA
SCHEMBL5655215 0.85 MAPK1 (0.86) CYP1A2CYP2C9CYP2C19MAPK1NAAA
SCHEMBL1231651 0.85 MAPK1 (0.86) CYP1A2CYP2C9CYP2C19MAPK1NAAA
SCHEMBL10659200 0.85 MAPK1 (0.86) CYP1A2CYP2C9CYP2C19MAPK1NAAA
SCHEMBL10865398 0.85 MAPK1 (0.86) CYP1A2CYP2C9CYP2C19MAPK1NAAA
SCHEMBL9183154 0.83 MAPK1 (0.90) CYP1A2CYP2C9CYP2C19MAPK1NAAA
SCHEMBL26661152 0.83 CYP1A2 (0.71) CYP1A2CYP2C9CYP2C19MAPK1NAAA

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 CYP1A2 2415/4885CYP2C9 1591/4885CYP2C19 1075/4885
US-20110178006-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES GLP1R, GIPR, GPR119 CYP1A2 2415/4885CYP2C9 1591/4885CYP2C19 1075/4885
US-20090286735-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES GLP1R, GIPR, GPR119 CYP1A2 2415/4885CYP2C9 1591/4885CYP2C19 1075/4885

“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.