SCHEMBL952347

SCHEMBL952347

CC(C)(C)NC(=O)CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
HTT P42858 1/20 0.58
TP53 P04637 4/20 0.54
GAA P10253 2/20 0.53
MAPT P10636 10/20 0.52
LMNA P02545 2/20 0.51
HPGD P15428 1/20 0.50

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
SCHEMBL951200 0.88 MAPT (0.66) ALDH1A1HTTTP53GAAMAPT
SCHEMBL12911740 0.86 ALDH1A1 (0.54) ALDH1A1HTTTP53GAAMAPT
SCHEMBL949981 0.85 ALDH1A1 (0.55) ALDH1A1HTTTP53GAAMAPT
SCHEMBL950280 0.85 ALDH1A1 (0.55) ALDH1A1HTTTP53GAAMAPT
SCHEMBL949623 0.84 ALDH1A1 (0.54) ALDH1A1HTTTP53GAAMAPT
SCHEMBL950439 0.84 ALDH1A1 (0.54) ALDH1A1HTTTP53GAAMAPT
SCHEMBL953342 0.84 ALDH1A1 (0.56) ALDH1A1HTTTP53GAAMAPT
SCHEMBL4223815 0.84 ALDH1A1 (0.67) ALDH1A1HTTTP53GAAMAPT
SCHEMBL949425 0.84 ALDH1A1 (0.56) ALDH1A1HTTTP53GAAMAPT
SCHEMBL950810 0.84 ALDH1A1 (0.56) ALDH1A1HTTTP53GAAMAPT

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-20110009440-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS MARSHALL HOWARD ROBERT 2011-01-13 US claimed
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-20110009440-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS MARSHALL HOWARD ROBERT 2011-01-13 US disclosed
US-20110009440-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS MARSHALL HOWARD ROBERT 2011-01-13 US disclosed
WO-2008092879-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF 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-20110009440-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SLC18A2, SLC1A2, SLC1A1 ALDH1A1 760/4885HTT 157/4885TP53 3854/4885

“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.