Sugi Predict

Sugi Predict / Compounds / SCHEMBL4519476

SCHEMBL4519476

SCHEMBL4519476

[2H]C1N(C(=O)c2ccc(C(F)(F)F)cc2)C([2H])([2H])C([2H])([2H])C([2H])(C(=O)O)C1([2H])[2H]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HSD11B1 P28845 1/20 0.43
▸ EPHX2 P34913 3/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ TEAD1 P28347 1/20 0.41
▸ MLYCD O95822 3/20 0.41
▸ SLC6A7 Q99884 1/20 0.39
▸ PRKAB2 O43741 2/20 0.39
▸ PRKAG1 P54619 2/20 0.39
▸ PRKAA2 P54646 2/20 0.39
▸ PRKAA1 Q13131 2/20 0.39
▸ PRKAG3 Q9UGI9 2/20 0.39
▸ PRKAG2 Q9UGJ0 2/20 0.39
▸ PRKAB1 Q9Y478 2/20 0.39

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
SCHEMBL4526644 0.73 KDM4E (0.46) MEN1HPGDTSHRKMT2ASIGMAR1
SCHEMBL4487492 0.73 GAA (0.64) MEN1HPGDTSHRKMT2ASIGMAR1
SCHEMBL4526323 0.70 GAA (0.76) MEN1HPGDTSHRKMT2ASIGMAR1
SCHEMBL2686486 0.68 HPGD (0.96) MEN1HPGDTSHRKMT2ASIGMAR1
SCHEMBL30964009 0.67 GAA (0.73) MEN1HPGDTSHRKMT2ASIGMAR1
SCHEMBL9677283 0.67 HPGD (1.00) MEN1HPGDTSHRKMT2ASIGMAR1
SCHEMBL5536446 0.66 GAA (0.71) MEN1HPGDTSHRKMT2ASIGMAR1
SCHEMBL3712268 0.66 MEN1 (0.67) MEN1HPGDTSHRKMT2AGAA
SCHEMBL28254884 0.65 MEN1 (0.73) MEN1HPGDTSHRKMT2ASIGMAR1
SCHEMBL23775473 0.65 GAA (0.74) MEN1HPGDTSHRKMT2ASIGMAR1

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-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
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
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 (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-20090253700-A1 N-'4-4(4-MORPHOLINYL) PHENYL!- '(4-PIPERIDINYL) METHYL! CARBOXAMIDE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS SLC1A1, SLC6A7, SLC1A2 MEN1 3284/4885HPGD 3383/4885TSHR 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.