SCHEMBL304944

SCHEMBL304944

OC[C@@H]1CN2CCOC[C@@H]2CN1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
SIGMAR1 Q99720 2/20 0.44
DRD2 P14416 6/20 0.40
DRD3 P35462 6/20 0.40
DRD1 P21728 4/20 0.40
GBA1 P04062 1/20 0.39
HDAC11 Q96DB2 1/20 0.38
SPHK2 Q9NRA0 2/20 0.37
SPHK1 Q9NYA1 2/20 0.37

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
SCHEMBL337644 0.87 ALDH1A1 (0.40) ALDH1A1POLBSIGMAR1
SCHEMBL2759852 0.87 ALDH1A1 (0.40) ALDH1A1POLBSIGMAR1
SCHEMBL29156269 0.84 ALDH1A1 (0.56) ALDH1A1POLBSIGMAR1DRD2DRD3
SCHEMBL29156272 0.84 ALDH1A1 (0.56) ALDH1A1POLBSIGMAR1DRD2DRD3
SCHEMBL1880066 0.79 SIGMAR1 (0.47) POLBSIGMAR1GBA1SPHK2SPHK1
SCHEMBL945183 0.79 SIGMAR1 (0.47) POLBSIGMAR1GBA1SPHK2SPHK1
SCHEMBL945182 0.79 SIGMAR1 (0.47) POLBSIGMAR1GBA1SPHK2SPHK1
SCHEMBL303965 0.79 ALDH1A1 (0.35) ALDH1A1POLBSIGMAR1
Hydrochloric Acid SCHEMBL1442190 0.78 SIGMAR1 (0.46) POLBSIGMAR1GBA1SPHK2SPHK1
Hydrochloric Acid SCHEMBL1730624 0.78 SIGMAR1 (0.46) POLBSIGMAR1GBA1SPHK2SPHK1

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 31 patents — showing the first 20. 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-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-8093242-B2 Crystalline forms of a pyridine derivative GLAXOSMITHKLINE LLC (US) 2012-01-10 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
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-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 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.