SCHEMBL4487492

SCHEMBL4487492

[2H]C1([2H])CC(C(=O)O)CCN1C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
HSD11B1 P28845 4/20 0.60
MGLL Q99685 2/20 0.58
MAPT P10636 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
NOTUM Q6P988 1/20 0.51
DHFR P00374 1/20 0.51
TEAD1 P28347 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
RHOC P08134 1/20 0.46
RHOA P61586 1/20 0.46
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45

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
SCHEMBL4526323 0.90 GAA (0.76) GAATDP1HSD11B1MGLLMAPT
SCHEMBL13629805 0.78 GAA (0.74) GAATDP1HSD11B1MGLLMEN1
SCHEMBL1720793 0.77 HSD11B1 (0.81) GAATDP1HSD11B1MGLLMEN1
SCHEMBL3712268 0.77 MEN1 (0.67) GAATDP1HSD11B1MGLLMAPT
SCHEMBL30964009 0.77 GAA (0.73) GAATDP1HSD11B1MGLLMEN1
SCHEMBL6504711 0.76 MEN1 (0.75) GAATDP1MAPTMEN1KMT2A
SCHEMBL1534319 0.76 RHOC (0.60) GAATDP1HSD11B1MGLLMAPT
SCHEMBL5536446 0.76 GAA (0.71) GAATDP1HSD11B1MGLLMEN1
SCHEMBL23775473 0.75 GAA (0.74) GAATDP1HSD11B1MGLLMEN1
SCHEMBL8280316 0.75 GAA (0.69) GAATDP1HSD11B1MGLLMEN1

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-20090318447-A1 N-[6-(4-MORPHOLINYL)-3-PYRIDINYL]-2-(TETRAHYDRO-2H-PYRAN-4-YL)-N-[(1--4-PIPERIDINYL) METHYL] ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYT1 TRANSPORT INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SUCH AS SCHIZOPHRENIA GLAXO GROUP LIMITED (GB) 2009-12-24 US disclosed
EP-1742940-A1 N-[6-(4-MORPHOLINYL)-3-PYRIDINYL]-2-(TETRAHYDRO-2H-PYRAN-4-YL)-N-[(1-{[PHENYL]METHYL}-4-PIPERIDINYL)METHYL] ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYT1 TRANSPORT INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SUCH AS SCHIZOPHRENIA GLAXO GROUP LIMITED (GB) 2007-01-17 EP disclosed
WO-2005103038-A1 N-[6-(4-MORPHOLINYL)-3-PYRIDINYL]-2-(TETRAHYDRO-2H-PYRAN-4-YL)-N-[(1-{[PHENYL]METHYL}-4-PIPERIDINYL)METHYL] ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYT1 TRANSPORT INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SUCH AS SCHIZOPHRENIA GLAXO GROUP LIMITED (GB) 2005-11-03 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-20090318447-A1 N-[6-(4-MORPHOLINYL)-3-PYRIDINYL]-2-(TETRAHYDRO-2H-PYRAN-4-YL)-N-[(1--4-PIPERIDINYL) METHYL] ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYT1 TRANSPORT INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SUCH AS SCHIZOPHRENIA SLC1A1, SLC1A2, SLC6A7 GAA 1349/4885TDP1 2945/4885HSD11B1 1987/4885

“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.