SCHEMBL3340358

SCHEMBL3340358

O=C1N[C@@H](CO)C(=O)N2CCOCC12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.40
ITGAV P06756 3/20 0.40
ITGA5 P08648 2/20 0.40
HDAC1 Q13547 8/20 0.36
HDAC4 P56524 7/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC3 O15379 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PIK3C3 Q8NEB9 5/20 0.33
ITGB1 P05556 2/20 0.33
ITGA4 P13612 2/20 0.33

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
SCHEMBL1574075 1.00 ITGB3 (0.40) ITGB3ITGAVITGA5HDAC1HDAC4
SCHEMBL337369 1.00 ITGB3 (0.40) ITGB3ITGAVITGA5HDAC1HDAC4
SCHEMBL337628 1.00 ITGB3 (0.40) ITGB3ITGAVITGA5HDAC1HDAC4
SCHEMBL8246610 1.00 ITGB3 (0.40) ITGB3ITGAVITGA5HDAC1HDAC4
SCHEMBL1574002 1.00 ITGB3 (0.40) ITGB3ITGAVITGA5HDAC1HDAC4
SCHEMBL31473165 0.78 ITGB3 (0.35) ITGB3ITGAVITGA5HDAC1HDAC4
SCHEMBL8245813 0.76 HDAC4 (0.44) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL30281500 0.76 SMN1; SMN2 (0.56) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL14952791 0.76 SMN1; SMN2 (0.56) HDAC1HDAC4HDAC6HDAC3HDAC7
SCHEMBL22901846 0.76 ITGB3 (0.47) ITGB3ITGAVITGA5HDAC1HDAC4

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 19 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
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-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-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
US-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders KaNDy Therapeutics Limited (GB) 2008-10-30 US disclosed
EP-1928886-A1 PYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS SmithKline Beecham Corporation (US) 2008-06-11 EP disclosed
WO-2007028654-A1 PYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO 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 ITGB3 3445/4885ITGAV 3009/4885ITGA5 3173/4885
US-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders SLC6A3, NDUFS5, NDUFB6 ITGB3 4565/4885ITGAV 4338/4885ITGA5 3871/4885
US-20100152175-A1 Pyridine Derivatives and Their Use in The Treatment of Psychotic Disorders CHRNA7, NR3C2, CHRNA6 ITGB3 3420/4885ITGAV 4353/4885ITGA5 3324/4885

“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.