SCHEMBL5543293

SCHEMBL5543293

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](COc2ccc(C#N)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.55
ACACB O00763 4/20 0.48
SIGMAR1 Q99720 1/20 0.43
KDM4D Q6B0I6 1/20 0.42
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
KCNA3 P22001 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
CTSK P43235 2/20 0.42
BTK Q06187 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AAK1 Q2M2I8 1/20 0.41

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
SCHEMBL5548799 1.00 DRD2 (0.55) DRD2ACACBSIGMAR1KDM4DKDM1A
SCHEMBL5548788 0.84 DRD2 (0.47) DRD2ACACBKDM4DAAK1
SCHEMBL5543202 0.84 DRD2 (0.54) DRD2ACACBSIGMAR1KDM1AMAOB
SCHEMBL5548352 0.84 DRD2 (0.54) DRD2ACACBSIGMAR1KDM1AMAOB
SCHEMBL5549964 0.84 DRD2 (0.54) DRD2ACACBSIGMAR1KDM1AMAOB
SCHEMBL5548746 0.80 DRD2 (0.49) DRD2KDM4DAAK1
SCHEMBL5545235 0.80 DRD2 (0.49) DRD2KDM4DAAK1
SCHEMBL5548342 0.80 DRD2 (0.49) DRD2KDM4DAAK1
SCHEMBL2649560 0.80 KDM1A (0.55) DRD2ACACBKDM1AMAOBKCNA3
SCHEMBL2649557 0.80 KDM1A (0.55) DRD2ACACBKDM1AMAOBKCNA3

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 3398/4885ACACB 1421/4885SIGMAR1 4155/4885

“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.