SCHEMBL2052217

SCHEMBL2052217

CC(C)(C(=O)O)C(=O)NC(c1c[nH]cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
AR P10275 1/20 0.30
NR3C1 P04150 1/20 0.30

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
SCHEMBL2180674 0.85 ALDH1A1 (0.31) KDM4ENR3C1
SCHEMBL7081435 0.72 KMT2A (0.37) KDM4E
SCHEMBL28813721 0.70
SCHEMBL7260793 0.69 KCNH2 (0.34) KDM4E
SCHEMBL6771509 0.68
SCHEMBL6772665 0.67
SCHEMBL8542575 0.67 PTGIR (0.33)
SCHEMBL7461297 0.66
SCHEMBL729746 0.66 MEN1 (0.37) KDM4E
SCHEMBL6771480 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3000482-B1 DOUBLE-ACYLATED GLP-1 DERIVATIVES NOVO NORDISK AS (DK) 2021-04-21 EP disclosed
CN-104311657-B Double acylated GLP-1 derivatives 诺沃—诺迪斯克有限公司 2020-12-08 CN disclosed
CN-111560060-A Double acylated GLP-1 derivatives 诺沃—诺迪斯克有限公司 2020-08-21 CN disclosed
CN-104327182-B Double acylated GLP-1 derivatives 诺沃—诺迪斯克有限公司 2020-04-17 CN disclosed
EP-2513141-B1 GLP-1 ANALOGUES AND DERIVATIVES NOVO NORDISK AS (DK) 2017-03-01 EP disclosed
US-9556250-B2 Double-acylated GLP-1 derivatives NOVO NORDISK A/S (DK) 2017-01-31 US disclosed
EP-3000482-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES Novo Nordisk A/S (DK) 2016-03-30 EP disclosed
EP-2513140-B1 DOUBLE-ACYLATED GLP-1 DERIVATIVES NOVO NORDISK AS (DK) 2015-11-04 EP disclosed
US-8815802-B2 GLP-1 analogues and derivatives NOVO NORDISK A/S (DK) 2014-08-26 US disclosed
US-20140179899-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES NOVO NORDISK A/S (DK) 2014-06-26 US disclosed
US-8648041-B2 Double-acylated GLP-1 derivatives NOVO NORDISK A/S (DK) 2014-02-11 US disclosed
US-20130053311-A1 GLP-1 ANALOGUES AND DERIVATIVES NOVO NORDISK A/S (DK) 2013-02-28 US disclosed
US-20120329711-A1 GLP-1 RECEPTOR AGONIST COMPOUNDS WITH A MODIFIED N-TERMINUS NORDISK A/S (DK) 2012-12-27 US disclosed
EP-2512518-A1 GLP-1 RECEPTOR AGONIST COMPOUNDS WITH A MODIFIED N-TERMINUS Novo Nordisk A/S (DK) 2012-10-24 EP disclosed
EP-2513141-A2 GLP-1 ANALOGUES AND DERIVATIVES Novo Nordisk A/S (DK) 2012-10-24 EP disclosed
EP-2513140-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES Novo Nordisk A/S (DK) 2012-10-24 EP disclosed
US-20110166321-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES NOVO NORDISK A/S (DK) 2011-07-07 US disclosed
WO-2011080102-A2 GLP-1 ANALOGUES AND DERIVATIVES NOVO NORDISK A/S (DK) 2011-07-07 WO disclosed
WO-2011080103-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES NOVO NORDISK A/S (DK) 2011-07-07 WO disclosed
WO-2011073328-A1 GLP-1 RECEPTOR AGONIST COMPOUNDS WITH A MODIFIED N-TERMINUS NOVO NORDISK A/S (DK) 2011-06-23 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-20110166321-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES GLP1R, IAPP, GCG KDM4E 264/4885HDAC3 487/4885HDAC4 749/4885
US-20130053311-A1 GLP-1 ANALOGUES AND DERIVATIVES GLP1R, IAPP, SLC5A1 KDM4E 157/4885HDAC3 632/4885HDAC4 165/4885
US-20140179899-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES GLP1R, GCG, DPP7 KDM4E 111/4885HDAC3 432/4885HDAC4 355/4885
US-20120329711-A1 GLP-1 RECEPTOR AGONIST COMPOUNDS WITH A MODIFIED N-TERMINUS GLP1R, GIPR, GCGR KDM4E 1672/4885HDAC3 3086/4885HDAC4 2900/4885

“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.