SCHEMBL3899430

SCHEMBL3899430

CC(C)(C)OC(=O)N[C@@H]1CC[C@H](Cn2cc(C#N)c3ccccc32)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
DRD2 P14416 4/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.46
STAT3 P40763 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KCNA3 P22001 1/20 0.43
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 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
SCHEMBL3896908 0.79 DRD2 (0.49) DRD2KCNA3KMT2AL3MBTL1KDM1A
SCHEMBL3896881 0.79 DRD2 (0.49) DRD2KCNA3KMT2AL3MBTL1KDM1A
SCHEMBL3905105 0.77 DRD2 (0.51) DRD2SMN1; SMN2KMT2AL3MBTL1KDM1A
SCHEMBL7292025 0.75 ALDH1A1 (0.59) POLBALDH1A1MAPTPKMSTAT3
SCHEMBL3898650 0.74 DRD2 (0.44) DRD2KCNA3KMT2AL3MBTL1KDM1A
SCHEMBL3901569 0.74 DRD2 (0.44) DRD2KCNA3KMT2AL3MBTL1KDM1A
SCHEMBL3904701 0.73 DRD2 (0.52) DRD2SMN1; SMN2KCNA3KMT2AL3MBTL1
SCHEMBL3897971 0.73 DRD2 (0.78) DRD2KMT2AL3MBTL1KDM1AMAOB
SCHEMBL3894757 0.73 DPP4 (0.56)
SCHEMBL3911907 0.73 DPP4 (0.56)

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 POLB 4192/4885DRD2 2892/4885ALDH1A1 924/4885
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 POLB 3739/4885DRD2 3063/4885ALDH1A1 1040/4885
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 POLB 3739/4885DRD2 3063/4885ALDH1A1 1040/4885

“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.