SCHEMBL757937

SCHEMBL757937

CCOC(=O)C=Cc1cc(F)c(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
DPP4 P27487 2/20 0.50
TTR P02766 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
PKM P14618 1/20 0.47
ESR1 P03372 1/20 0.46
MAOB P27338 1/20 0.46
CNKSR1 Q969H4 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
FDPS P14324 1/20 0.43
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
PTGS2 P35354 1/20 0.41

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
SCHEMBL757936 1.00 CYP3A4 (0.51) CYP3A4DPP4TTRCA12CA1
SCHEMBL2352080 0.86 MAOB (0.53) CYP3A4DPP4TTRCA12CA1
SCHEMBL31390627 0.85 CYP3A4 (0.51) CYP3A4DPP4TTRCA12CA1
SCHEMBL2325697 0.85 CYP3A4 (0.51) CYP3A4DPP4TTRCA12CA1
SCHEMBL2325706 0.85 CYP3A4 (0.51) CYP3A4DPP4TTRCA12CA1
SCHEMBL16852891 0.85 CYP3A4 (0.45) CYP3A4DPP4TTRCA12CA1
SCHEMBL8375820 0.84 POLB (0.56) CYP3A4DPP4TTRCA12CA1
SCHEMBL31295136 0.84 MAOB (0.55) CYP3A4DPP4TTRCA12CA1
SCHEMBL3501821 0.84 CYP3A4 (0.54) CYP3A4DPP4TTRCA12CA1
SCHEMBL8375818 0.84 POLB (0.56) CYP3A4DPP4TTRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962601-B1 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-4 INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2014-10-15 EP disclosed
EP-1921917-B1 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2012-03-21 EP disclosed
EP-1819674-B1 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2011-10-05 EP disclosed
US-8017624-B2 Fused aminopiperidines as dipeptidyi peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2011-09-13 US disclosed
US-7943615-B2 Fused aminopiperidines as dipeptidyl peptidase-4 inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2011-05-17 US disclosed
US-7884104-B2 Such as (3R,4R)-1-Pyrimidin-4-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine bis-trifluoroacetic acid salt MERCK SHARP & DOHME CORP. (US) 2011-02-08 US disclosed
EP-1796669-B1 AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2010-09-22 EP disclosed
US-7718667-B2 Fused aminopiperidines as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-05-18 US disclosed
US-20090258894-A1 Fused Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2009-10-15 US disclosed
US-20090233936-A1 Fused Aminopiperidines as Dipeptidyl Peptidase-4 Inhibitors for the Treatment or Prevention of Diabetes MERCK & CO., INC. (US) 2009-09-17 US disclosed
EP-1962601-A2 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-4 INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2008-09-03 EP disclosed
EP-1921917-A2 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2008-05-21 EP disclosed
US-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-03-27 US disclosed
US-20080009510-A1 Fused Aminopiperidine as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-01-10 US disclosed
EP-1819674-A2 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2007-08-22 EP disclosed
WO-2007070434-A2 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-4 INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2007-06-21 WO disclosed
EP-1796669-A2 AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2007-06-20 EP disclosed
WO-2007024993-A2 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2007-03-01 WO disclosed
WO-2006058064-A2 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2006-06-01 WO disclosed
WO-2006039325-A2 AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2006-04-13 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-20080009510-A1 Fused Aminopiperidine as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 CYP3A4 185/4885DPP4 1/4885TTR 1294/4885
US-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 CYP3A4 160/4885DPP4 1/4885TTR 1143/4885
US-20090258894-A1 Fused Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 CYP3A4 205/4885DPP4 1/4885TTR 1116/4885
US-20090233936-A1 Fused Aminopiperidines as Dipeptidyl Peptidase-4 Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP7, DPP3 CYP3A4 223/4885DPP4 1/4885TTR 1482/4885

“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.