SCHEMBL950030

SCHEMBL950030

O=C(CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2)N1CCCC(c2ccccn2)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
TP53 P04637 3/20 0.41
MDM2 Q00987 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GCGR P47871 1/20 0.39
HSD11B1 P28845 1/20 0.37
MAP3K12 Q12852 1/20 0.37

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
SCHEMBL949952 0.90 MAPT (0.43) GAATP53ALDH1A1HTTMAPT
SCHEMBL949973 0.90 HSD11B1 (0.49) GAATP53ALDH1A1HTTMAPT
SCHEMBL954035 0.87 GAA (0.43) GAATP53ALDH1A1HTTMAPT
SCHEMBL949836 0.85 GAA (0.42) GAATP53ALDH1A1HTTMAPT
SCHEMBL8172680 0.82 HSD11B1 (0.34) GAATP53MDM2ALDH1A1HTT
SCHEMBL950806 0.81 ALDH1A1 (0.42) GAATP53ALDH1A1HTTMAPT
SCHEMBL953993 0.79 GAA (0.49) GAATP53ALDH1A1HTTMAPT
SCHEMBL953987 0.77 HSD11B1 (0.50) GAATP53ALDH1A1HTTMAPT
SCHEMBL950680 0.76 ALDH1A1 (0.47) GAATP53ALDH1A1HTTMAPT
SCHEMBL949425 0.76 ALDH1A1 (0.56) GAATP53ALDH1A1HTTMAPT

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 8 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
EP-2121625-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS Glaxo Group Limited (GB) 2009-11-25 EP claimed
WO-2008092879-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 WO 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
EP-2121625-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS Glaxo Group Limited (GB) 2009-11-25 EP 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 GAA 218/4885TP53 3854/4885MDM2 3577/4885

“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.