SCHEMBL950735

SCHEMBL950735

[2H]OC(=O)C([2H])([2H])N1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H]

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.42
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SCN9A Q15858 1/20 0.33
CYP2C9 P11712 1/20 0.32
MAPT P10636 3/20 0.32
TP53 P04637 3/20 0.32
GAA P10253 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL4443509 0.94 GCGR (0.45) GCGRALDH1A1HTTSCN9ACYP2C9
SCHEMBL4230837 0.87 GCGR (0.44) GCGRALDH1A1HTTMAPTTP53
SCHEMBL4230649 0.86 GCGR (0.42) GCGRALDH1A1HTTMAPTTP53
SCHEMBL4229216 0.80 GCGR (0.47) GCGRALDH1A1HTTMAPTTP53
SCHEMBL4223386 0.80 GCGR (0.45) GCGRALDH1A1HTTMAPTTP53
SCHEMBL4224018 0.78 GCGR (0.42) GCGRALDH1A1HTTMAPTTP53
SCHEMBL949686 0.72 MAPT (0.45) GCGRALDH1A1HTTMAPTTP53
SCHEMBL950810 0.71 ALDH1A1 (0.56) GCGRALDH1A1HTTMAPTTP53
SCHEMBL3840369 0.71 GCGR (0.38) GCGRALDH1A1HTTMAPTTP53
SCHEMBL950280 0.70 ALDH1A1 (0.55) GCGRALDH1A1HTTMAPTTP53

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-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 GCGR 604/4885ALDH1A1 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.