SCHEMBL303965

SCHEMBL303965

CC(C)(C)[Si](C)(C)OC[C@@H]1CN2CCOC[C@@H]2CN1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
KCNH2 Q12809 1/20 0.33
CHIT1 Q13231 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
LTA4H P09960 1/20 0.32

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
SCHEMBL1875799 0.83 LTA4H (0.38) ALDH1A1SIGMAR1LTA4H
SCHEMBL1005039 0.83 LTA4H (0.38) ALDH1A1SIGMAR1LTA4H
SCHEMBL1005038 0.83 LTA4H (0.38) ALDH1A1SIGMAR1LTA4H
SCHEMBL6402255 0.83 MAPT (0.38) SIGMAR1
SCHEMBL2759852 0.81 ALDH1A1 (0.40) ALDH1A1POLBSIGMAR1LTA4H
SCHEMBL337644 0.79 ALDH1A1 (0.40) ALDH1A1POLBSIGMAR1KCNH2CHIT1
SCHEMBL304944 0.79 ALDH1A1 (0.46) ALDH1A1POLBSIGMAR1
SCHEMBL3955729 0.77 SIGMAR1 (0.53) ALDH1A1POLBSIGMAR1
SCHEMBL25250146 0.74 PDK1 (0.40) ALDH1A1LTA4H
SCHEMBL25298123 0.74 PDK1 (0.40) ALDH1A1LTA4H

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-8093242-B2 Crystalline forms of a pyridine derivative GLAXOSMITHKLINE LLC (US) 2012-01-10 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-20110136798-A1 Crystalline Forms Of A Pyridine Derivative KaNDy Therapeutics Limited (GB) 2011-06-09 US disclosed
EP-1928886-B1 PYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS GLAXOSMITHKLINE LLC (US) 2011-04-13 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-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
WO-2010015626-A1 CRYSTALLINE FORMS OF A PYRIDINE DERIVATIVE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20110136798-A1 Crystalline Forms Of A Pyridine Derivative TPMT, CYP4B1, CYP2F1 ALDH1A1 1148/4885POLB 2220/4885SIGMAR1 2638/4885
US-20110190276-A1 Pyridine Derivatives And Their Use In The Treatment Of Psychotic Disorders NDUFB7, NDUFB6, GABRE ALDH1A1 337/4885POLB 2084/4885SIGMAR1 676/4885
US-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders SLC6A3, NDUFS5, NDUFB6 ALDH1A1 490/4885POLB 3253/4885SIGMAR1 657/4885
US-20100152175-A1 Pyridine Derivatives and Their Use in The Treatment of Psychotic Disorders CHRNA7, NR3C2, CHRNA6 ALDH1A1 1956/4885POLB 3030/4885SIGMAR1 12/4885

“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.