SCHEMBL4597953

SCHEMBL4597953

Cc1ccc(C2=NC3(CCCCC3)N(CC(=O)O)C2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.63
ALDH1A1 P00352 3/20 0.60
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.56
TP53 P04637 4/20 0.54
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.53

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
SCHEMBL4598471 0.89 MAPT (0.62) MAPTALDH1A1HPGDHTTTP53
SCHEMBL16501220 0.88 MAPT (0.62) MAPTALDH1A1HPGDHTTTP53
SCHEMBL950747 0.88 MAPT (0.62) MAPTALDH1A1HPGDHTTTP53
SCHEMBL4510644 0.87 MAPT (0.66) MAPTALDH1A1HPGDHTTTP53
SCHEMBL4913338 0.85 MAPT (0.78) MAPTALDH1A1HPGDHTTTP53
SCHEMBL4903580 0.85 MAPT (0.78) MAPTALDH1A1HPGDHTTTP53
SCHEMBL950280 0.84 ALDH1A1 (0.55) MAPTALDH1A1HPGDHTTTP53
SCHEMBL4220007 0.84 ALDH1A1 (0.53) MAPTALDH1A1HPGDHTTTP53
SCHEMBL13499821 0.83 MAPT (0.58) MAPTALDH1A1HPGDHTTTP53
SCHEMBL950810 0.83 ALDH1A1 (0.56) MAPTALDH1A1HPGDHTTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009440-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS MARSHALL HOWARD ROBERT 2011-01-13 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
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-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-20080221185-A1 Glyt1 Transporter Inhibitors and Uses Thereof in Treatment of Neurological and Neuropsychiatric Disorders SLC18A2, SLC6A3, SLC1A2 MAPT 277/4885ALDH1A1 1028/4885HPGD 2329/4885
US-20110009440-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SLC18A2, SLC1A2, SLC1A1 MAPT 156/4885ALDH1A1 760/4885HPGD 2894/4885

“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.