SCHEMBL2998083

SCHEMBL2998083

O=C(O)Nc1nc(-c2ccccn2)cs1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.79
KDM4A O75164 1/20 0.79
KDM4B O94953 1/20 0.79
KDM5B Q9UGL1 1/20 0.79
SMN1; SMN2 Q16637 6/20 0.71
LMNA P02545 4/20 0.71
RAB9A P51151 3/20 0.71
NPC1 O15118 1/20 0.71
ALDH1A1 P00352 6/20 0.67
L3MBTL1 Q9Y468 5/20 0.67
MAPT P10636 7/20 0.66
HPGD P15428 1/20 0.66
SLC2A1 P11166 1/20 0.66
GRM1 Q13255 1/20 0.66
KDM4E B2RXH2 5/20 0.65
TDP1 Q9NUW8 4/20 0.65
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
HTT P42858 3/20 0.64
POLB P06746 2/20 0.64

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
SCHEMBL4657817 0.87 ADORA3 (0.72) ADORA3KDM4AKDM4BKDM5BSMN1; SMN2
SCHEMBL17716927 0.87 ALDH1A1 (0.75) ADORA3KDM4AKDM4BKDM5BSMN1; SMN2
SCHEMBL18997288 0.87 ADORA3 (0.82) ADORA3KDM4AKDM4BKDM5BSMN1; SMN2
SCHEMBL13209246 0.85 ADORA3 (0.70) ADORA3KDM4AKDM4BKDM5BSMN1; SMN2
SCHEMBL19783013 0.84 ADORA3 (0.78) ADORA3KDM4AKDM4BKDM5BSMN1; SMN2
SCHEMBL19974299 0.84 ADORA3 (0.68) ADORA3KDM4AKDM4BKDM5BSMN1; SMN2
SCHEMBL31361484 0.84 ADORA3 (0.90) ADORA3KDM4AKDM4BKDM5BSMN1; SMN2
SCHEMBL19974298 0.84 ADORA3 (0.68) ADORA3KDM4AKDM4BKDM5BSMN1; SMN2
SCHEMBL11786433 0.83 ALDH1A1 (0.68) ADORA3KDM4AKDM4BKDM5BSMN1; SMN2
SCHEMBL21241884 0.83 ALDH1A1 (0.68) ADORA3KDM4AKDM4BKDM5BSMN1; SMN2

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-20100197699-A1 I-OXA-3-Azaspiro (4.5) Decan-2-One And 1-OXA-3, 8-Diazaspiro (4.5) Decan-2-One Derivatives For The Treatment of Eating Disorders GLAXO GROUP LIMITED 2010-08-05 US disclosed
EP-2121673-A1 I-OXA-3-AZASPIRO (4.5) DECAN-2-ONE AND 1-OXA-3, 8-DIAZASPIRO (4.5) DECAN-2-ONE DERIVATIVES FOR THE TREATMENT OF EATING DISORDERS Glaxo Group Limited (GB) 2009-11-25 EP disclosed
WO-2008092887-A1 I-OXA-3-AZASPIRO (4.5) DECAN-2-ONE AND 1-OXA-3, 8-DIAZASPIRO (4.5) DECAN-2-ONE DERIVATIVES FOR THE TREATMENT OF EATING DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 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-20100197699-A1 I-OXA-3-Azaspiro (4.5) Decan-2-One And 1-OXA-3, 8-Diazaspiro (4.5) Decan-2-One Derivatives For The Treatment of Eating Disorders NPY5R, NPY1R, NPY4R ADORA3 546/4885KDM4A 707/4885KDM4B 874/4885

“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.