SCHEMBL950281

SCHEMBL950281

[2H]c1cc(C(F)(F)F)ccc1C1=NC2(N(C([2H])(CC)C(=O)O)C1=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H]

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.37
GLP1R P43220 2/20 0.32
SLC6A4 P31645 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
PTPN1 P18031 1/20 0.30
PSEN1 P49768 2/20 0.30
PSEN2 P49810 2/20 0.30
APH1B Q8WW43 2/20 0.30
NCSTN Q92542 2/20 0.30
APH1A Q96BI3 2/20 0.30
PSENEN Q9NZ42 2/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL4517453 0.80 MAPT (0.41) GCGR
SCHEMBL950808 0.74 GCGR (0.33) GCGRGLP1R
SCHEMBL4443509 0.72 GCGR (0.45) GCGRPSEN1PSEN2APH1BNCSTN
SCHEMBL953439 0.70 GCGR (0.47) GCGRGLP1RSLC6A4PTPN1PSEN1
SCHEMBL951189 0.69 GCGR (0.46) GCGRGLP1R
SCHEMBL950735 0.69 GCGR (0.42) GCGRPSEN1PSEN2APH1BNCSTN
SCHEMBL4229216 0.62 GCGR (0.47) GCGRMMP2MMP9
SCHEMBL4223386 0.62 GCGR (0.45) GCGR
SCHEMBL4502610 0.61 MAPT (0.40) GCGR
SCHEMBL950810 0.61 ALDH1A1 (0.56) GCGR

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 1 patent. 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

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 604/4885GLP1R 909/4885SLC6A4 5/4885

“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.