SCHEMBL4152849

SCHEMBL4152849

[2H]C1C(C(=O)OCC)CCN(C(=O)c2ccc(CC)cc2)C1([2H])[2H]

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
KDM4E B2RXH2 2/20 0.54
TSHR P16473 1/20 0.54
GAA P10253 1/20 0.53
GLA P06280 1/20 0.53
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MGLL Q99685 1/20 0.49
HPGD P15428 1/20 0.49
PARP10 Q53GL7 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
SCHEMBL4172039 0.88 TSHR (0.67) NPC1KDM4ETSHRGAAGLA
SCHEMBL4598393 0.79 TSHR (0.66) NPC1KDM4ETSHRGAAGLA
SCHEMBL12504031 0.79 HPGD (0.77) POLBALDH1A1HPGD
SCHEMBL4158238 0.78 MAPT (0.50) GAAL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL6973124 0.77 GAA (0.73) NPC1KDM4ETSHRGAAGLA
SCHEMBL14409571 0.77 TSHR (0.70) NPC1KDM4ETSHRGAAGLA
SCHEMBL3339277 0.75 TSHR (0.67) NPC1KDM4ETSHRGAAGLA
SCHEMBL314589 0.75 TSHR (0.75) KDM4ETSHRGAAGLAKMT2A
SCHEMBL4164420 0.74 MAPT (0.66) GAAL3MBTL1KMT2APOLBMEN1
SCHEMBL4597842 0.74 TSHR (0.58) NPC1KDM4ETSHRGAAGLA

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-20090253700-A1 N-'4-4(4-MORPHOLINYL) PHENYL!- '(4-PIPERIDINYL) METHYL! CARBOXAMIDE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-08 US disclosed
US-20090221577-A1 COMPOUNDS HAVING MORPHOLINYL AND PIPERIDINYL GROUPS FOR USE AS GLYT1 INHIBITORS GLAXO GROUP LIMITED 2009-09-03 US disclosed
EP-1737822-A1 N-'4-4(4-MORPHOLINYL) PHENYL!-'(4-PIPERIDINYL) METHYL! CARBOXAMIDE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2007-01-03 EP disclosed
EP-1737849-A1 COMPOUNDS HAVING MORPHOLINYL AND PIPERIDINYL GROUPS FOR USE AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2007-01-03 EP disclosed
WO-2005103042-A1 COMPOUNDS HAVING MORPHOLINYL AND PIPERIDINYL GROUPS FOR USE AS GLYT1 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-11-03 WO disclosed
WO-2005103000-A1 N-`4-4(4-MORPHOLINYL) PHENYL!-`(4-PIPERIDINYL) METHYL! CARBOXAMIDE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2005-11-03 WO disclosed
WO-2005058885-A2 PIPERIDINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 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 (2 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-20090221577-A1 COMPOUNDS HAVING MORPHOLINYL AND PIPERIDINYL GROUPS FOR USE AS GLYT1 INHIBITORS SLC6A7, SLC1A1, SLC6A3 NPC1 212/4885KDM4E 3206/4885TSHR 1502/4885
US-20090253700-A1 N-'4-4(4-MORPHOLINYL) PHENYL!- '(4-PIPERIDINYL) METHYL! CARBOXAMIDE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS SLC1A1, SLC6A7, SLC1A2 NPC1 172/4885KDM4E 1399/4885TSHR 1282/4885

“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.