SCHEMBL303241

SCHEMBL303241

O=C1[C@@H](CO)N(Cc2ccccc2)C(=O)[C@H]2COCCN12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.38
PIK3C3 Q8NEB9 3/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL31473135 0.82 RIPK1 (0.34) EHMT2PIK3C3TSHRCYP2C19CYP3A4
SCHEMBL17926108 0.76 ADORA2A (0.54) TSHRKMT2AMEN1ALDH1A1POLB
SCHEMBL13396257 0.67 HDAC6 (0.61) EHMT2TSHRCYP2C19CYP3A4KMT2A
SCHEMBL945182 0.66 SIGMAR1 (0.47) POLB
SCHEMBL945183 0.66 SIGMAR1 (0.47) POLB
SCHEMBL1880066 0.66 SIGMAR1 (0.47) POLB
SCHEMBL11776300 0.66 EHMT2 (0.58) EHMT2TSHRCYP2C19CYP3A4CHRM2
SCHEMBL12005033 0.65 PIK3CA (0.45) TSHRKMT2AMEN1ALDH1A1POLB
Hydrochloric Acid SCHEMBL1730624 0.65 SIGMAR1 (0.46) POLB
Hydrochloric Acid SCHEMBL1442190 0.65 SIGMAR1 (0.46) POLB

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 30 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-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
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
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 EHMT2 3392/4885PIK3C3 3175/4885TSHR 1638/4885
US-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders SLC6A3, NDUFS5, NDUFB6 EHMT2 3255/4885PIK3C3 1970/4885TSHR 2442/4885
US-20100152175-A1 Pyridine Derivatives and Their Use in The Treatment of Psychotic Disorders CHRNA7, NR3C2, CHRNA6 EHMT2 1835/4885PIK3C3 2517/4885TSHR 245/4885

“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.