SCHEMBL4516029

SCHEMBL4516029

[2H]N([2H])c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 5/20 0.53
LMNA P02545 3/20 0.53
MAPK1 P28482 2/20 0.53
GFER P55789 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 3/20 0.50
HPGD P15428 3/20 0.49
RAB9A P51151 2/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 2/20 0.44
PDE3B Q13370 4/20 0.43
PDE3A Q14432 4/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.41
LGMN Q99538 1/20 0.41

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
SCHEMBL29822510 0.88 MAPT (0.67) SMN1; SMN2MAPTGAAALDH1A1LMNA
SCHEMBL209737 0.88 MAPT (0.67) SMN1; SMN2MAPTGAAALDH1A1LMNA
SCHEMBL4381301 0.83 MAPT (0.59) SMN1; SMN2MAPTGAAALDH1A1LMNA
SCHEMBL28218777 0.78 SMN1; SMN2 (0.55) SMN1; SMN2MAPTGAAALDH1A1LMNA
SCHEMBL4163683 0.75 ALDH1A1 (0.58) SMN1; SMN2MAPTGAAALDH1A1LMNA
SCHEMBL17265648 0.75 ALDH1A1 (0.77) SMN1; SMN2MAPTGAAALDH1A1LMNA
SCHEMBL17450416 0.75 ALDH1A1 (0.54) SMN1; SMN2MAPTGAAALDH1A1LMNA
SCHEMBL5236073 0.75 ALDH1A1 (0.60) SMN1; SMN2MAPTGAAALDH1A1LMNA
SCHEMBL12128904 0.75 HPGD (0.52) SMN1; SMN2MAPTGAAALDH1A1LMNA
SCHEMBL9906943 0.75 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1LMNAMAPK1NPC1

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 5 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
WO-2005058317-A1 GLYCINE TRANSPORTER-1 INHIBIRORS 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 SMN1; SMN2 2404/4885MAPT 425/4885GAA 1817/4885

“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.