SCHEMBL3901569

SCHEMBL3901569

CC(C)(C)OC(=O)N[C@@H]1CC[C@H](Cn2cnc(C#N)c2C#N)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.44
BTK Q06187 2/20 0.43
JAK3 P52333 1/20 0.43
JAK1 P23458 7/20 0.41
KCNA3 P22001 1/20 0.41
CTSK P43235 2/20 0.40
JAK2 O60674 4/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
KAT8 Q9H7Z6 1/20 0.38
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD3 P35462 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
SCHEMBL3898650 1.00 DRD2 (0.44) DRD2BTKJAK3JAK1KCNA3
SCHEMBL3902157 0.81
SCHEMBL5263369 0.81
SCHEMBL3896881 0.80 DRD2 (0.49) DRD2BTKJAK1KCNA3CTSK
SCHEMBL3896908 0.80 DRD2 (0.49) DRD2BTKJAK1KCNA3CTSK
SCHEMBL3905105 0.77 DRD2 (0.51) DRD2JAK1JAK2KDM1AMAOB
SCHEMBL3899430 0.74 POLB (0.48) DRD2KCNA3KDM1AMAOBKMT2A
SCHEMBL5543293 0.72 DRD2 (0.55) DRD2BTKKCNA3CTSKKDM1A
SCHEMBL5548799 0.72 DRD2 (0.55) DRD2BTKKCNA3CTSKKDM1A
SCHEMBL5262280 0.72 DRD2 (0.49) DRD2BTKJAK1CTSKJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DRD2 2892/4885BTK 3741/4885JAK3 2326/4885
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 DRD2 3063/4885BTK 3630/4885JAK3 2319/4885
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 DRD2 3063/4885BTK 3630/4885JAK3 2319/4885

“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.