SCHEMBL4474964

SCHEMBL4474964

[2H]C1CC(C(=O)OCC)CCN1C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
TSHR P16473 1/20 0.55
GLA P06280 1/20 0.54
KMT2A Q03164 2/20 0.53
HSD11B1 P28845 1/20 0.52
MEN1 O00255 1/20 0.52
MGLL Q99685 1/20 0.51
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.48
PKM P14618 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL4468382 0.92 GAA (0.64) GAATDP1TSHRGLAKMT2A
SCHEMBL6504430 0.81 KMT2A (0.74) GAATSHRGLAKMT2AMEN1
SCHEMBL3339277 0.78 TSHR (0.67) GAATSHRGLAKMT2AHSD11B1
SCHEMBL14409571 0.78 TSHR (0.70) GAATSHRGLAKMT2AMEN1
SCHEMBL5790478 0.78 KDM4E (0.68) GAATDP1TSHRKMT2AMEN1
SCHEMBL2167020 0.77 MAPT (0.64) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL28363510 0.77 POLB (0.76) GAATDP1TSHRKMT2AKDM4E
SCHEMBL3117118 0.77 OPRM1 (0.50) GAATDP1TSHRGLAKMT2A
SCHEMBL4526644 0.77 KDM4E (0.46) GAATDP1TSHRGLAKMT2A
SCHEMBL314589 0.76 TSHR (0.75) GAATSHRGLAKMT2AMEN1

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 4 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
WO-2005058882-A1 COMPOUNDS HAVING MORPHOLINYL AND PIPERIDINYL GROUPS FOR USE AS GLYT1 AND GLYT2 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 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 2945/4885TSHR 972/4885

“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.