SCHEMBL3898086

SCHEMBL3898086

CC(C)(C)OC(=O)NC1CCC(C#N)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.54
CTSK P43235 2/20 0.54
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
KCNA3 P22001 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
DRD2 P14416 3/20 0.40
HSD11B1 P28845 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.39

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
SCHEMBL25455746 1.00 BTK (0.54) BTKCTSKKDM1AMAOBKCNA3
SCHEMBL8271202 1.00 BTK (0.54) BTKCTSKKDM1AMAOBKCNA3
SCHEMBL25640416 1.00 BTK (0.54) BTKCTSKKDM1AMAOBKCNA3
SCHEMBL14737711 1.00 BTK (0.54) BTKCTSKKDM1AMAOBKCNA3
SCHEMBL31629826 1.00 BTK (0.54) BTKCTSKKDM1AMAOBKCNA3
SCHEMBL31644744 0.91 BTK (0.62) BTKCTSKKDM1AMAOBKCNA3
SCHEMBL14737714 0.91 BTK (0.62) BTKCTSKKDM1AMAOBKCNA3
SCHEMBL14737713 0.91 BTK (0.62) BTKCTSKKDM1AMAOBKCNA3
SCHEMBL19192616 0.91 BTK (0.62) BTKCTSKKDM1AMAOBKCNA3
SCHEMBL2223739 0.91 BTK (0.62) BTKCTSKKDM1AMAOBKCNA3

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
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-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists MERCK SHARP & DOHME CORP. 2007-12-20 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-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 3741/4885CTSK 382/4885KDM1A 1380/4885
US-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists GRIN2B, GRIN2A, GRIN1 BTK 2343/4885CTSK 3864/4885KDM1A 1384/4885
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 BTK 3630/4885CTSK 322/4885KDM1A 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.