SCHEMBL953993

SCHEMBL953993

O=C(CN1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCCCC2)N1Cc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
ALDH1A1 P00352 3/20 0.48
HTT P42858 1/20 0.48
TP53 P04637 4/20 0.46
MAPT P10636 9/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.43
GCGR P47871 1/20 0.41

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
SCHEMBL951136 0.87 MAPT (0.55) GAAALDH1A1HTTTP53MAPT
SCHEMBL23815767 0.86 MAPT (0.53) GAAALDH1A1HTTTP53MAPT
SCHEMBL26840845 0.86 MAPT (0.54) GAAALDH1A1HTTTP53MAPT
SCHEMBL949981 0.83 ALDH1A1 (0.55) GAAALDH1A1HTTTP53MAPT
SCHEMBL950280 0.83 ALDH1A1 (0.55) GAAALDH1A1HTTTP53MAPT
SCHEMBL950680 0.83 ALDH1A1 (0.47) GAAALDH1A1HTTTP53MAPT
SCHEMBL12911740 0.82 ALDH1A1 (0.54) GAAALDH1A1HTTTP53MAPT
SCHEMBL950810 0.82 ALDH1A1 (0.56) GAAALDH1A1HTTTP53MAPT
SCHEMBL950030 0.79 GAA (0.42) GAAALDH1A1HTTTP53MAPT
SCHEMBL952347 0.78 ALDH1A1 (0.58) GAAALDH1A1HTTTP53MAPT

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 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
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 218/4885ALDH1A1 760/4885HTT 157/4885

“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.