SCHEMBL5545235

SCHEMBL5545235

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNc2ccc(C#N)cn2)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.49
DPP4 P27487 9/20 0.44
KDM4D Q6B0I6 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
DPP8 Q6V1X1 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
AAK1 Q2M2I8 1/20 0.41
CCR6 P51684 1/20 0.40
HCRTR1 O43613 3/20 0.40
CYP2D6 P10635 1/20 0.40
DPP9 Q86TI2 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
SCHEMBL5548746 1.00 DRD2 (0.49) DRD2DPP4KDM4DIRAK4DPP8
SCHEMBL5548342 1.00 DRD2 (0.49) DRD2DPP4KDM4DIRAK4DPP8
SCHEMBL1938116 0.83 CCR6 (0.53) DRD2DPP4KDM4DIRAK4CCR6
SCHEMBL5545283 0.82 DRD2 (0.49) DRD2KDM4DIRAK4AAK1
SCHEMBL5549947 0.81 DPP4 (0.43) DPP4KDM4DIRAK4DPP8DPP7
SCHEMBL5548341 0.81 DRD2 (0.48) DRD2KDM4DIRAK4AAK1CCR6
SCHEMBL5548799 0.80 DRD2 (0.55) DRD2KDM4DAAK1
SCHEMBL5543293 0.80 DRD2 (0.55) DRD2KDM4DAAK1
SCHEMBL1937148 0.78 GPR119 (0.50) DPP4IRAK4
SCHEMBL5543308 0.76 DRD2 (0.47) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 US claimed
US-7230002-B2 Dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2007-06-12 US disclosed
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 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 (1 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-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof DPP4, DPP3, DPP7 DRD2 3398/4885DPP4 1/4885KDM4D 635/4885

“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.