SCHEMBL3342656

SCHEMBL3342656

O=C(NC[C@H]1CCCN1C(=O)O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.57
ALDH1A1 P00352 1/20 0.50
FKBP1A P62942 3/20 0.49
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACE P12821 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL25186706 1.00 PREP (0.57) PREPALDH1A1FKBP1ADPP4DPP8
SCHEMBL3336958 1.00 PREP (0.57) PREPALDH1A1FKBP1ADPP4DPP8
SCHEMBL20522842 0.96 FKBP1A (0.54) PREPALDH1A1FKBP1ADPP4DPP8
SCHEMBL25174182 0.96 FKBP1A (0.54) PREPALDH1A1FKBP1ADPP4DPP8
SCHEMBL28978206 0.96 FKBP1A (0.54) PREPALDH1A1FKBP1ADPP4DPP8
SCHEMBL9075684 0.88 HTT (0.54) PREPALDH1A1DPP4DPP8DPP9
SCHEMBL9075679 0.88 HTT (0.54) PREPALDH1A1DPP4DPP8DPP9
SCHEMBL25174200 0.88 PREP (0.55) PREPALDH1A1FKBP1ADPP4DPP8
SCHEMBL3955135 0.86 MEN1 (0.51) PREPALDH1A1FKBP1ADPP4DPP8
SCHEMBL4738328 0.85 OPRD1 (0.53) PREPFKBP1AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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-20080269208-A1 Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders SLC6A3, NDUFS5, NDUFB6 PREP 1477/4885ALDH1A1 490/4885FKBP1A 1097/4885
US-20100152175-A1 Pyridine Derivatives and Their Use in The Treatment of Psychotic Disorders CHRNA7, NR3C2, CHRNA6 PREP 4576/4885ALDH1A1 1956/4885FKBP1A 1616/4885

“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.