SCHEMBL4520152

SCHEMBL4520152

[2H]C1C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C12N=C(c1ccc(OC)cc1)C(=O)N2[2H]

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
PIM1 P11309 1/20 0.32
AKR1B1 P15121 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NOTUM Q6P988 1/20 0.32
GSK3B P49841 1/20 0.32
ALPL P05186 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL4522111 0.70 POLB (0.67) ALDH1A1POLBRAB9A
SCHEMBL3570017 0.69 TSHR (0.67) ALDH1A1POLBRAB9A
SCHEMBL4599178 0.68 POLB (0.46) ALDH1A1POLBRAB9A
SCHEMBL4443465 0.59 POLB (0.51) POLBPIM1PIM2RAB9ANOTUM
SCHEMBL10373648 0.59 NISCH (0.61) IDO1LMNAALDH1A1KDM4E
SCHEMBL3677953 0.57 GSK3B (0.60) MAPTPTGS2KDM4EGSK3B
SCHEMBL29325439 0.57 NISCH (0.50) IDO1LMNAALDH1A1
SCHEMBL10509909 0.57 ALDH1A1 (0.56) IDO1LMNAALDH1A1MAPTKDM4E
SCHEMBL1840585 0.56 ALDH1A1 (0.44) LMNAALDH1A1MAPTPTGS2KDM4E
SCHEMBL7004111 0.56 PTGS2 (0.54) LMNAMAPTPTGS2KDM4EGSK3B

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-20090326027-A1 N-Phenyl-2-0X0-1,4-Diazaspiro [4.5] Dec-3-EN-1-YL Acetamide Derivatives And Their Use As Glycine Transporter Inhibitors GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
EP-2004612-A1 N-PHENYL-2-0X0-1,4-DIAZASPIR0 [4.5]DEC-3-EN-1-YL ACETAMIDE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2008-12-24 EP disclosed
WO-2007104776-A1 N-PHENYL-2-0X0-1,4-DIAZASPIR0 [4.5] DEC-3-EN-1-YL ACETAMIDE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2007-09-20 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-20090326027-A1 N-Phenyl-2-0X0-1,4-Diazaspiro [4.5] Dec-3-EN-1-YL Acetamide Derivatives And Their Use As Glycine Transporter Inhibitors SLC1A2, SLC1A1, SLC6A3 IDO1 452/4885LMNA 4175/4885ALDH1A1 410/4885

“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.