SCHEMBL3837569

SCHEMBL3837569

[2H]C1OCCC2(N=C(c3ccc(Cl)cc3)C(=O)N2C([2H])([2H])C(=O)O)C1([2H])[2H]

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 9/20 0.41
MAPT P10636 6/20 0.39
TP53 P04637 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
GLP1R P43220 1/20 0.33

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
SCHEMBL3840369 0.94 GCGR (0.38) GCGRMAPTTP53ALDH1A1HTT
SCHEMBL4433512 0.83 MAPT (0.46) GCGRMAPTTP53ALDH1A1HTT
SCHEMBL3835353 0.79 MAPT (0.50) GCGRMAPTTP53ALDH1A1HTT
SCHEMBL949686 0.78 MAPT (0.45) GCGRMAPTTP53ALDH1A1HTT
SCHEMBL4508229 0.74 MAPT (0.44) GCGRMAPTTP53ALDH1A1HTT
SCHEMBL4598474 0.72 MAPT (0.39) GCGRMAPTTP53ALDH1A1HTT
SCHEMBL4223386 0.71 GCGR (0.45) GCGRMAPTTP53ALDH1A1HTT
SCHEMBL950747 0.70 MAPT (0.62) MAPTTP53ALDH1A1HTTGAA
SCHEMBL4443509 0.69 GCGR (0.45) GCGRMAPTTP53ALDH1A1HTT
SCHEMBL4513439 0.69 MAPT (0.41) GCGRMAPTTP53GLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325993-A1 GLYT1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders AHMAD NADIA MAMOONA 2009-12-31 US disclosed
EP-2108018-A2 8-OXA-1,4-DIAZASPIRO [4,5] DEC-3-EN-1-YL AND 1,4,8-TRIAZASPIRO [4,5] DEC-3-EN-1-YL ACETAMIDES AS GLYTI TRANSPORTER INHIBITORS IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS Glaxo Group Limited (GB) 2009-10-14 EP disclosed
WO-2008092877-A2 8-OXA-1, 4-DIAZASPIRO [4,5] DEC-3-EN-1-YL AND 1,4, 8-TRIAZASPIRO [4,5] DEC- 3-EN-1-YL ACETAMIDES AS GLYTI TRANSPORTER INHIBITORS IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 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 (1 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-20090325993-A1 GLYT1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders SLC18A2, SLC1A2, SLC6A2 GCGR 725/4885MAPT 92/4885TP53 3694/4885

“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.