SCHEMBL336728

SCHEMBL336728

CCOC(=O)C(C(=O)OCC)N1CCC[C@H]1CNC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.46
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.44
OPRK1 P41145 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
DPP4 P27487 2/20 0.42
DPP7 Q9UHL4 2/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
FKBP1A P62942 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
SCHEMBL337392 1.00 PREP (0.46) PREPHSD17B10ALDH1A1OPRK1MEN1
SCHEMBL3339396 0.89 PREP (0.49) PREPALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3335378 0.89 PREP (0.49) PREPALDH1A1MEN1KMT2ACYP1A2
SCHEMBL13543157 0.82 ALDH1A1 (0.51) PREPALDH1A1MEN1KMT2ACYP1A2
SCHEMBL13316344 0.82 ALDH1A1 (0.51) PREPALDH1A1MEN1KMT2ACYP1A2
SCHEMBL25186706 0.78 PREP (0.57) PREPALDH1A1MEN1KMT2ADPP4
SCHEMBL3336958 0.78 PREP (0.57) PREPALDH1A1MEN1KMT2ADPP4
SCHEMBL3342656 0.78 PREP (0.57) PREPALDH1A1MEN1KMT2ADPP4
SCHEMBL3603880 0.78 PREP (0.49) PREPALDH1A1MEN1KMT2A
SCHEMBL13316374 0.77 PREP (0.50) PREPALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097618-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2012-01-17 US disclosed
US-8097618-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2012-01-17 US disclosed
US-20110190276-A1 Pyridine Derivatives And Their Use In The Treatment Of Psychotic Disorders KaNDy Therapeutics Limited (GB) 2011-08-04 US disclosed
US-20110190276-A1 Pyridine Derivatives And Their Use In The Treatment Of Psychotic Disorders KaNDy Therapeutics Limited (GB) 2011-08-04 US disclosed
EP-2336136-A1 Pyridine derivatives and their use in the treatment of psychotic disorders GlaxoSmithKline LLC (US) 2011-06-22 EP disclosed
EP-2336136-A1 Pyridine derivatives and their use in the treatment of psychotic disorders GlaxoSmithKline LLC (US) 2011-06-22 EP disclosed
US-7919491-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2011-04-05 US disclosed
US-7919491-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2011-04-05 US disclosed
US-7919491-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2011-04-05 US disclosed
US-20100152175-A1 Pyridine Derivatives and Their Use in The Treatment of Psychotic Disorders GLAXOSMITHKLINE LLC (US) 2010-06-17 US disclosed
US-20100152175-A1 Pyridine Derivatives and Their Use in The Treatment of Psychotic Disorders GLAXOSMITHKLINE LLC (US) 2010-06-17 US disclosed
US-7683056-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2010-03-23 US disclosed
US-7683056-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2010-03-23 US disclosed
US-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders KaNDy Therapeutics Limited (GB) 2008-10-30 US disclosed
US-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders KaNDy Therapeutics Limited (GB) 2008-10-30 US disclosed
WO-2007028654-A1 PYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO 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 (3 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-20110190276-A1 Pyridine Derivatives And Their Use In The Treatment Of Psychotic Disorders NDUFB7, NDUFB6, GABRE PREP 1168/4885HSD17B10 2127/4885ALDH1A1 337/4885
US-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders SLC6A3, NDUFS5, NDUFB6 PREP 1477/4885HSD17B10 2189/4885ALDH1A1 490/4885
US-20100152175-A1 Pyridine Derivatives and Their Use in The Treatment of Psychotic Disorders CHRNA7, NR3C2, CHRNA6 PREP 4576/4885HSD17B10 636/4885ALDH1A1 1956/4885

“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.