SCHEMBL3901760

SCHEMBL3901760

CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CCOS(C)(=O)=O)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.47
DRD2 P14416 8/20 0.44
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
DRD3 P35462 2/20 0.39
CTSK P43235 2/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KAT8 Q9H7Z6 1/20 0.37
EPHX1 P07099 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL24456007 1.00 BTK (0.47) BTKDRD2KDM1AMAOBDRD3
SCHEMBL707674 0.95 DRD2 (0.46) BTKDRD2KDM1AMAOBDRD3
SCHEMBL17598632 0.95 DRD2 (0.46) BTKDRD2KDM1AMAOBDRD3
SCHEMBL1670919 0.95 DRD2 (0.46) BTKDRD2KDM1AMAOBDRD3
SCHEMBL3896959 0.88 BTK (0.48) BTKDRD2KDM1AMAOBDRD3
SCHEMBL3900620 0.88 BTK (0.48) BTKDRD2KDM1AMAOBDRD3
SCHEMBL3900150 0.88 BTK (0.48) BTKDRD2KDM1AMAOBDRD3
SCHEMBL21069649 0.88 BTK (0.48) BTKDRD2KDM1AMAOBDRD3
SCHEMBL22362354 0.88 BTK (0.48) BTKDRD2KDM1AMAOBDRD3
SCHEMBL21069313 0.87 BTK (0.42) BTKDRD2KDM1AMAOBDRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799639-B1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS SA (CH) 2013-09-04 EP disclosed
US-7538128-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-05-26 US disclosed
US-7524844-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-04-28 US disclosed
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-11 US disclosed
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-04 US disclosed
US-7205323-B2 Dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2007-04-17 US disclosed
US-20060142585-A1 Novel dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACETUCALS, S.A. 2006-06-29 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 (3 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-20060142585-A1 Novel dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation DPP4, DPP3, DPP7 BTK 3741/4885DRD2 2892/4885KDM1A 1380/4885
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 BTK 3630/4885DRD2 3063/4885KDM1A 1023/4885
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 BTK 3630/4885DRD2 3063/4885KDM1A 1023/4885

“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.