SCHEMBL3904701

SCHEMBL3904701

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](Cn2ncc3ccccc32)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CRHR1 P34998 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.45
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
PIK3CD O00329 1/20 0.42
JAK1 P23458 3/20 0.42
JAK2 O60674 1/20 0.42
DRD3 P35462 1/20 0.41
KCNA3 P22001 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL10237675 0.94 L3MBTL1 (0.48) DRD2NPC1RAB9ASMN1; SMN2CRHR1
SCHEMBL3905105 0.78 DRD2 (0.51) DRD2NPC1SMN1; SMN2L3MBTL1TSHR
SCHEMBL3895333 0.78 DRD2 (0.51) DRD2CRHR1L3MBTL1KMT2AKDM1A
SCHEMBL3897971 0.77 DRD2 (0.78) DRD2L3MBTL1KMT2AKDM1AMAOB
SCHEMBL10238907 0.77 L3MBTL1 (0.45) DRD2NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL3900553 0.76 DRD2 (0.49) DRD2L3MBTL1KMT2AKDM1AMAOB
SCHEMBL5262280 0.76 DRD2 (0.49) DRD2L3MBTL1KMT2AKDM1AMAOB
SCHEMBL5519650 0.76 DRD2 (0.55) DRD2L3MBTL1KMT2AKDM1AMAOB
SCHEMBL5537816 0.76 DRD2 (0.55) DRD2L3MBTL1KMT2AKDM1AMAOB
SCHEMBL3900707 0.75 DRD2 (0.54) DRD2L3MBTL1KMT2AKDM1AMAOB

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 DRD2 2892/4885NPC1 942/4885RAB9A 1929/4885
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 DRD2 3063/4885NPC1 1400/4885RAB9A 2256/4885
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 DRD2 3063/4885NPC1 1400/4885RAB9A 2256/4885

“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.