SCHEMBL5545283

SCHEMBL5545283

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CSc2ccc(C#N)cn2)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.49
KDM4D Q6B0I6 2/20 0.43
AAK1 Q2M2I8 1/20 0.42
ACACB O00763 2/20 0.38
JAK1 P23458 3/20 0.38
JAK3 P52333 1/20 0.38
BTK Q06187 1/20 0.38
F2R P25116 1/20 0.38
JAK2 O60674 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
KCNA3 P22001 1/20 0.38
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
TNF P01375 1/20 0.37
CTSK P43235 2/20 0.36
HSD11B1 P28845 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
SCHEMBL3207411 0.82 DRD2 (0.46) DRD2KDM4DAAK1JAK1JAK3
SCHEMBL3207399 0.82 DRD2 (0.46) DRD2KDM4DAAK1JAK1JAK3
SCHEMBL5548342 0.82 DRD2 (0.49) DRD2KDM4DAAK1IRAK4
SCHEMBL5548746 0.82 DRD2 (0.49) DRD2KDM4DAAK1IRAK4
SCHEMBL5545235 0.82 DRD2 (0.49) DRD2KDM4DAAK1IRAK4
SCHEMBL5548373 0.81 DRD2 (0.48) DRD2ACACBJAK1BTKJAK2
SCHEMBL5548341 0.80 DRD2 (0.48) DRD2KDM4DAAK1JAK1JAK3
SCHEMBL5543293 0.79 DRD2 (0.55) DRD2KDM4DAAK1ACACBBTK
SCHEMBL5548799 0.79 DRD2 (0.55) DRD2KDM4DAAK1ACACBBTK
SCHEMBL5550028 0.76 DRD2 (0.46) DRD2JAK1JAK3BTKJAK2

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 3398/4885KDM4D 635/4885AAK1 2211/4885

“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.