SCHEMBL3901028

SCHEMBL3901028

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](Cn2cccn2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.48
BTK Q06187 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
DRD3 P35462 1/20 0.40
JAK1 P23458 3/20 0.39
JAK2 O60674 1/20 0.39
EPHX2 P34913 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
RORC P51449 1/20 0.38
CTSK P43235 2/20 0.38
PIK3CD O00329 1/20 0.37

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
SCHEMBL25741448 0.93 BTK (0.49) DRD2BTKKMT2AL3MBTL1KDM1A
SCHEMBL3904876 0.84 DRD2 (0.46) DRD2BTKKMT2AL3MBTL1KDM1A
SCHEMBL5262280 0.83 DRD2 (0.49) DRD2BTKKMT2AL3MBTL1KDM1A
SCHEMBL3900553 0.83 DRD2 (0.49) DRD2BTKKMT2AL3MBTL1KDM1A
SCHEMBL3910610 0.81 DRD2 (0.46) DRD2BTKKMT2AL3MBTL1KDM1A
SCHEMBL3899426 0.81 DRD2 (0.46) DRD2BTKKMT2AL3MBTL1KDM1A
SCHEMBL3897829 0.81 DRD2 (0.46) DRD2BTKKMT2AL3MBTL1KDM1A
SCHEMBL3898117 0.81 DRD2 (0.46) DRD2BTKKMT2AL3MBTL1KDM1A
SCHEMBL1154909 0.81 DRD2 (0.46) DRD2BTKKMT2AL3MBTL1KDM1A
SCHEMBL3911519 0.81 DRD2 (0.46) DRD2BTKKMT2AL3MBTL1KDM1A

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 3741/4885KMT2A 3383/4885
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 DRD2 3063/4885BTK 3630/4885KMT2A 3071/4885
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 DRD2 3063/4885BTK 3630/4885KMT2A 3071/4885

“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.