SCHEMBL4510644

SCHEMBL4510644

COc1ccc(C2=NC3(CCCCC3)N(CC(=O)O)C2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.66
TP53 P04637 4/20 0.66
ALDH1A1 P00352 3/20 0.64
LMNA P02545 2/20 0.64
HPGD P15428 1/20 0.60
GAA P10253 3/20 0.57
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4518584 0.90 MAPT (0.66) MAPTTP53ALDH1A1LMNAHPGD
SCHEMBL4597953 0.87 MAPT (0.63) MAPTTP53ALDH1A1LMNAHPGD
SCHEMBL8230660 0.87 MAPT (0.65) MAPTTP53ALDH1A1LMNAHPGD
SCHEMBL950833 0.85 ALDH1A1 (0.53) MAPTTP53ALDH1A1LMNAHPGD
SCHEMBL4910051 0.85 MAPT (0.81) MAPTTP53ALDH1A1LMNAHPGD
SCHEMBL16501220 0.85 MAPT (0.62) MAPTTP53ALDH1A1LMNAHPGD
SCHEMBL950747 0.84 MAPT (0.62) MAPTTP53ALDH1A1LMNAHPGD
SCHEMBL3575668 0.84 MAPT (0.68) MAPTTP53ALDH1A1LMNAHPGD
SCHEMBL3578482 0.84 MAPT (0.68) MAPTTP53ALDH1A1LMNAHPGD
SCHEMBL4913757 0.83 MAPT (0.89) MAPTTP53ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090326027-A1 N-Phenyl-2-0X0-1,4-Diazaspiro [4.5] Dec-3-EN-1-YL Acetamide Derivatives And Their Use As Glycine Transporter Inhibitors GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-20090326027-A1 N-Phenyl-2-0X0-1,4-Diazaspiro [4.5] Dec-3-EN-1-YL Acetamide Derivatives And Their Use As Glycine Transporter Inhibitors GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-20090326027-A1 N-Phenyl-2-0X0-1,4-Diazaspiro [4.5] Dec-3-EN-1-YL Acetamide Derivatives And Their Use As Glycine Transporter Inhibitors GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
EP-2004612-A1 N-PHENYL-2-0X0-1,4-DIAZASPIR0 [4.5]DEC-3-EN-1-YL ACETAMIDE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2008-12-24 EP disclosed
US-20080221185-A1 Glyt1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
US-20080221185-A1 Glyt1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
US-20080221185-A1 Glyt1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
EP-1910311-A2 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-04-16 EP disclosed
WO-2007104776-A1 N-PHENYL-2-0X0-1,4-DIAZASPIR0 [4.5] DEC-3-EN-1-YL ACETAMIDE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2007-09-20 WO disclosed
WO-2007104776-A1 N-PHENYL-2-0X0-1,4-DIAZASPIR0 [4.5] DEC-3-EN-1-YL ACETAMIDE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2007-09-20 WO disclosed
WO-2007014762-A2 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed
WO-2007014762-A2 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-02-08 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-20090326027-A1 N-Phenyl-2-0X0-1,4-Diazaspiro [4.5] Dec-3-EN-1-YL Acetamide Derivatives And Their Use As Glycine Transporter Inhibitors SLC1A2, SLC1A1, SLC6A3 MAPT 205/4885TP53 3726/4885ALDH1A1 410/4885
US-20080221185-A1 Glyt1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders SLC18A2, SLC6A3, SLC1A2 MAPT 277/4885TP53 4008/4885ALDH1A1 1028/4885

“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.