SCHEMBL2653855

SCHEMBL2653855

CN(C)C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.59
CES1 P23141 2/20 0.59
ERN1 O75460 3/20 0.51
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRNA1 P02708 1/20 0.45
CHRNG P07510 1/20 0.45
CHRNB1 P11230 1/20 0.45
CHRNB2 P17787 1/20 0.45
SLC6A2 P23975 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CHRND Q07001 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL355413 0.84 ESR1 (0.60) CES2CES1ERN1ALDH1A1HPGD
SCHEMBL16905393 0.84 HDAC1 (0.58) CES2CES1ERN1ALDH1A1HPGD
SCHEMBL91409 0.84 ERN1 (0.49) CES2CES1ERN1ALDH1A1HPGD
SCHEMBL850387 0.82 ERN1 (0.44) CES2CES1ERN1ALDH1A1HPGD
SCHEMBL5906546 0.82 ERN1 (0.48) CES2CES1ERN1ALDH1A1HPGD
SCHEMBL788674 0.82 ERN1 (0.44) CES2CES1ERN1ALDH1A1HPGD
SCHEMBL1782199 0.82 GPBAR1 (0.48) ERN1ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL144208 0.82 ERN1 (0.48) CES2CES1ERN1ALDH1A1HPGD
SCHEMBL29902993 0.82 GPBAR1 (0.48) ERN1ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL16186288 0.82 ERN1 (0.44) CES2CES1ERN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed
EP-1756076-B1 HETROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2010-08-11 EP disclosed
EP-1756076-B1 HETROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2010-08-11 EP disclosed
US-7745475-B2 Such as 3-[(1S)-2-hydroxy-1-methylethoxy]-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide; glucokinases (Glk) ASTRAZENECA AB (SE) 2010-06-29 US disclosed
US-7745475-B2 Such as 3-[(1S)-2-hydroxy-1-methylethoxy]-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide; glucokinases (Glk) ASTRAZENECA AB (SE) 2010-06-29 US disclosed
US-7745475-B2 Such as 3-[(1S)-2-hydroxy-1-methylethoxy]-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide; glucokinases (Glk) ASTRAZENECA AB (SE) 2010-06-29 US disclosed
US-20090253676-A1 Heteroaryl Benzamide Derivatives for Use as GLK Activators in the Treatment of Diabetes ASTRAZENECA AB (SE) 2009-10-08 US disclosed
US-20090253676-A1 Heteroaryl Benzamide Derivatives for Use as GLK Activators in the Treatment of Diabetes ASTRAZENECA AB (SE) 2009-10-08 US disclosed
US-20090253676-A1 Heteroaryl Benzamide Derivatives for Use as GLK Activators in the Treatment of Diabetes ASTRAZENECA AB (SE) 2009-10-08 US disclosed
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US disclosed
US-20080280874-A1 Phenoxy Benzamide Compounds with Utility in the Treatment of Type 2 Diabetes and Obesity ASTRAZENECA AB (SE) 2008-11-13 US disclosed
US-20080015203-A1 Heteroaryl Benzamide Derivatives for Use as Glk Activators in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20080015203-A1 Heteroaryl Benzamide Derivatives for Use as Glk Activators in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20080015203-A1 Heteroaryl Benzamide Derivatives for Use as Glk Activators in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20070287693-A1 Benzamide Derivatives That Act Upon The Glucokinase Enzyme ASTRAZENECA AB (SE) 2007-12-13 US disclosed
EP-1856056-A1 PHENOXY BENZAMIDE COMPOUNDS WITH UTILITY IN THE TREATMENT OF TYPE 2 DIABETES AND OBESITY AstraZeneca AB (SE) 2007-11-21 EP disclosed
EP-1756076-A1 HETROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2006040528-A1 PHENOXY BENZAMIDE COMPOUNDS WITH UTILITY IN THE TREATMENT OF TYPE 2 DIABETES AND OBESITY ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-2005121110-A1 HETROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2005-12-22 WO disclosed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 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 (5 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-20080015203-A1 Heteroaryl Benzamide Derivatives for Use as Glk Activators in the Treatment of Diabetes GRK4, GRK5, GRK2 CES2 3330/4885CES1 811/4885ERN1 2041/4885
US-20070287693-A1 Benzamide Derivatives That Act Upon The Glucokinase Enzyme GCK, GCKR, GRK4 CES2 755/4885CES1 269/4885ERN1 1270/4885
US-20080280874-A1 Phenoxy Benzamide Compounds with Utility in the Treatment of Type 2 Diabetes and Obesity GRK4, PTGER4, GPR119 CES2 1528/4885CES1 585/4885ERN1 2943/4885
US-20090253676-A1 Heteroaryl Benzamide Derivatives for Use as GLK Activators in the Treatment of Diabetes GRK4, GRK5, GRK2 CES2 3110/4885CES1 845/4885ERN1 2244/4885
US-20090247560-A1 Diaryl ketimine derivative NR0B2, NR2C2, NR3C2 CES2 1262/4885CES1 758/4885ERN1 1059/4885

“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.