SCHEMBL2518344

SCHEMBL2518344

[2H]C1([2H])CCCN(C(=O)OC(C)(C)C)[C@]1([2H])Cc1cn2cccc(C)c2n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
PDE10A Q9Y233 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL2121861 0.84 KDM4E (0.53) KDM4EHSD17B10HPGDALDH1A1MAPK1
SCHEMBL2123041 0.80 KDM4E (0.33) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL2123488 0.79 KDM4E (0.43) KDM4EHSD17B10HPGDALDH1A1MAPK1
SCHEMBL2123364 0.79 METTL3 (0.35) KDM4EHSD17B10HPGDALDH1A1MAPT
SCHEMBL2536526 0.78 KDM4E (0.34) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL2512568 0.74 SMN1; SMN2 (0.35) KDM4EALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL2533053 0.74 METTL3 (0.43) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL2538398 0.73 PDE8B (0.42) KDM4EHSD17B10HPGDALDH1A1LMNA
SCHEMBL2122898 0.73 METTL3 (0.43) KDM4EHSD17B10HPGDALDH1A1
SCHEMBL2514192 0.72 SMN1; SMN2 (0.34) KDM4EALDH1A1MAPK1SMN1; SMN2RAB9A

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
EP-2379550-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2011-10-26 EP disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 US disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 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-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, VIPR2 KDM4E 1459/4885HSD17B10 3769/4885HPGD 732/4885

“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.