SCHEMBL756201

SCHEMBL756201

COC(=O)CC(c1cc(F)c(F)cc1F)C(C#N)C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.32
GAA P10253 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
KCNA5 P22460 3/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KMT2A Q03164 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
SCHEMBL19972301 0.86 ALDH1A1 (0.36) HTTALDH1A1MAPTKMT2A
SCHEMBL19972227 0.84 KMT2A (0.38) ALDH1A1MAPTTP53HSD17B10KMT2A
SCHEMBL1096505 0.83 KCNA5 (0.37) ALDH1A1KCNA5KMT2A
SCHEMBL19988401 0.81 KDM4E (0.37) GAAALDH1A1MAPTTP53HSD17B10
SCHEMBL4428619 0.77 ALDH1A1 (0.48) HTTGAAALDH1A1MAPTKCNA5
SCHEMBL1105718 0.76 KCNA5 (0.40) HTTALDH1A1MAPTKCNA5KMT2A
SCHEMBL14920601 0.75 HTT (0.34) HTTALDH1A1MAPTKCNA5KMT2A
SCHEMBL19985861 0.74 KMT2A (0.38) ALDH1A1MAPTTP53HSD17B10KMT2A
SCHEMBL28621086 0.74 KMT2A (0.36) GAAALDH1A1MAPTHSD17B10KMT2A
SCHEMBL1096969 0.74 KCNA5 (0.51) GAAALDH1A1KCNA5KMT2A

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 HTT 2609/4885GAA 215/4885ALDH1A1 1432/4885
US-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 HTT 3045/4885GAA 240/4885ALDH1A1 1070/4885
US-20090258894-A1 Fused Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 HTT 2638/4885GAA 171/4885ALDH1A1 1471/4885
US-20090233936-A1 Fused Aminopiperidines as Dipeptidyl Peptidase-4 Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP7, DPP3 HTT 3741/4885GAA 120/4885ALDH1A1 876/4885

“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.