SCHEMBL5545327

SCHEMBL5545327

CC(C)(C)OC(=O)NC1CCC(CNc2ccc([N+](=O)[O-])cc2F)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.54
GPR119 Q8TDV5 4/20 0.43
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
MAPT P10636 4/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALOX5 P09917 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
CRHBP P24387 1/20 0.36
KMT2A Q03164 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
SCHEMBL5545325 1.00 DRD2 (0.54) DRD2GPR119ALDH1A1HTTGAA
SCHEMBL5545315 1.00 DRD2 (0.54) DRD2GPR119ALDH1A1HTTGAA
SCHEMBL5548387 0.83 DRD2 (0.43) DRD2GPR119GAAL3MBTL1KDM1A
SCHEMBL5548391 0.83 DRD2 (0.43) DRD2GPR119GAAL3MBTL1KDM1A
SCHEMBL5548393 0.83 DRD2 (0.43) DRD2GPR119GAAL3MBTL1KDM1A
SCHEMBL2390422 0.78 DRD2 (0.43) DRD2L3MBTL1KDM1AMAOBMEN1
SCHEMBL15342779 0.78 DRD2 (0.43) DRD2L3MBTL1KDM1AMAOBMEN1
SCHEMBL2390423 0.78 DRD2 (0.43) DRD2L3MBTL1KDM1AMAOBMEN1
SCHEMBL27224905 0.78 DRD2 (0.59) DRD2ALDH1A1THRBMAPTLMNA
SCHEMBL5548352 0.76 DRD2 (0.54) DRD2ALDH1A1KDM1AMAOBMAPT

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 3398/4885GPR119 141/4885ALDH1A1 1221/4885

“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.