SCHEMBL5548387

SCHEMBL5548387

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNc2cc(F)c(F)cc2F)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.43
BTK Q06187 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DRD3 P35462 2/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
RORC P51449 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
GAA P10253 1/20 0.36
ACACB O00763 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL5548391 1.00 DRD2 (0.43) DRD2BTKKDM1AMAOBKAT8
SCHEMBL5548393 1.00 DRD2 (0.43) DRD2BTKKDM1AMAOBKAT8
SCHEMBL5545315 0.83 DRD2 (0.54) DRD2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL5545327 0.83 DRD2 (0.54) DRD2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL5545325 0.83 DRD2 (0.54) DRD2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL3907863 0.80 BTK (0.47) DRD2BTKKDM1AMAOBKMT2A
SCHEMBL5548398 0.80 BTK (0.47) DRD2BTKKDM1AMAOBKMT2A
SCHEMBL2390423 0.79 DRD2 (0.43) DRD2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL2390422 0.79 DRD2 (0.43) DRD2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL15342779 0.79 DRD2 (0.43) DRD2KDM1AMAOBKMT2AL3MBTL1

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 3398/4885BTK 3888/4885KDM1A 2466/4885

“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.