SCHEMBL2739928

SCHEMBL2739928

CC(C)C(=O)N1CCCC(F)(F)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.47
DPP7 Q9UHL4 1/20 0.47
VNN1 O95497 1/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
PIK3CD O00329 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CHRM4 P08173 1/20 0.34
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33

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
SCHEMBL2739927 0.88 DPP4 (0.54) DPP4DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL5020028 0.85 DPP4 (0.39) DPP4DPP7VNN1CHRNB2CHRNA3
SCHEMBL21028177 0.82 LIPE (0.46) DPP4DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL10279141 0.80 CYP3A4 (0.43) DPP4DPP7VNN1ALDH1A1CYP1A2
SCHEMBL16750122 0.79 VNN1 (0.38) DPP4DPP7VNN1CHRNB2CHRNA3
SCHEMBL12308337 0.79 GRM5 (0.53) ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL2739930 0.79 DPP4 (0.48) DPP4DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL18559490 0.78 CHRNB2 (0.34) DPP4DPP7CHRNB2CHRNA3CHRNA4
SCHEMBL17032813 0.78 CYP1A2 (0.57) ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL3628875 0.78 DPP4 (0.40) DPP4DPP7VNN1ALDH1A1CYP1A2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC (US) 2023-10-26 US disclosed
US-20230174545-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2023-06-08 US disclosed
US-20230174545-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2023-06-08 US disclosed
US-11584756-B2 Heterocyclic compounds as BET inhibitors NUVATION BIO INC. (US) 2023-02-21 US disclosed
US-20210002293-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2021-01-07 US disclosed
US-10329257-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-06-25 US disclosed
US-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 US disclosed
US-8247565-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-02 US disclosed
US-8093401-B2 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-20110015192-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-01-20 US disclosed
US-7829556-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
US-7829556-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20090099170-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-04-16 US disclosed
US-20090012080-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-01-08 US disclosed
US-20090012080-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-01-08 US disclosed
US-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037810-A1 Sirtuin modulating compounds SIRTIS PHARMACEUTICALS, INC. (US) 2007-02-15 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 (14 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-20090012080-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 DPP4 1525/4885DPP7 1512/4885VNN1 1818/4885
US-11584756-B2 Heterocyclic compounds as BET inhibitors BET1, BRD4, BRD3 DPP4 3146/4885DPP7 2454/4885VNN1 3621/4885
US-20090099170-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 DPP4 1525/4885DPP7 1512/4885VNN1 1818/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT DPP4 1318/4885DPP7 2708/4885VNN1 1991/4885
US-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRT2, SIRT1, SIRT3 DPP4 1992/4885DPP7 986/4885VNN1 2002/4885
US-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B DPP4 1108/4885DPP7 497/4885VNN1 1567/4885
US-20230174545-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 DPP4 3146/4885DPP7 2454/4885VNN1 3621/4885
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 DPP4 3146/4885DPP7 2454/4885VNN1 3621/4885
US-20110015192-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 DPP4 1230/4885DPP7 880/4885VNN1 1780/4885
US-20210002293-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 DPP4 3146/4885DPP7 2454/4885VNN1 3621/4885
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRT2, SIRT1, SIRT3 DPP4 1889/4885DPP7 984/4885VNN1 1455/4885
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 DPP4 1525/4885DPP7 1512/4885VNN1 1818/4885
US-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS CDK8, CDK9, CDK18 DPP4 2896/4885DPP7 2639/4885VNN1 3488/4885
US-20070037810-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 DPP4 1230/4885DPP7 880/4885VNN1 1780/4885

“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.