SCHEMBL4526644

SCHEMBL4526644

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
SIGMAR1 Q99720 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD11B1 P28845 1/20 0.41
GLA P06280 1/20 0.40
ADRB2 P07550 1/20 0.40
MGLL Q99685 1/20 0.40
EPHX2 P34913 1/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 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
SCHEMBL6514120 0.81 MEN1 (0.49) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL4468382 0.77 GAA (0.64) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL4474964 0.77 GAA (0.55) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL4519476 0.73 MEN1 (0.49) MEN1KMT2AHPGDTSHRSIGMAR1
SCHEMBL15557282 0.70 SIGMAR1 (0.57) MEN1KMT2AHPGDTSHRSIGMAR1
SCHEMBL14393562 0.69 GAA (0.63) MEN1KMT2AHPGDTSHRSIGMAR1
SCHEMBL8430101 0.67 GAA (0.64) MEN1KMT2AHPGDTSHRSIGMAR1
SCHEMBL4487492 0.67 GAA (0.64) MEN1KMT2AHPGDTSHRSIGMAR1
SCHEMBL6504430 0.66 KMT2A (0.74) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL16256957 0.65 SIGMAR1 (0.61) MEN1KMT2AHPGDTSHRSIGMAR1

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-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

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 KDM4E 1399/4885ALDH1A1 1336/4885MEN1 3284/4885

“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.