SCHEMBL3003397

SCHEMBL3003397

O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc4ccccc4c3)CC2)CN1c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 13/20 0.48
KCNH2 Q12809 3/20 0.47
ADRA1A P35348 2/20 0.47
EPHX2 P34913 1/20 0.47
TRPV1 Q8NER1 1/20 0.45
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.40
OTUD7B Q6GQQ9 1/20 0.40

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
SCHEMBL3003400 1.00 NPY5R (0.48) NPY5RKCNH2ADRA1AEPHX2TRPV1
Hydrochloric Acid SCHEMBL3011727 0.99 NPY5R (0.47) NPY5RKCNH2ADRA1AEPHX2TRPV1
Hydrochloric Acid SCHEMBL3011728 0.99 NPY5R (0.47) NPY5RKCNH2ADRA1AEPHX2TRPV1
SCHEMBL2995050 0.88 TRPV1 (0.51) NPY5RKCNH2ADRA1AEPHX2TRPV1
SCHEMBL2995049 0.88 TRPV1 (0.51) NPY5RKCNH2ADRA1AEPHX2TRPV1
Hydrochloric Acid SCHEMBL3010863 0.88 TRPV1 (0.51) NPY5RKCNH2ADRA1AEPHX2TRPV1
Hydrochloric Acid SCHEMBL3010859 0.88 TRPV1 (0.51) NPY5RKCNH2ADRA1AEPHX2TRPV1
SCHEMBL3743798 0.78 NPY5R (0.55) NPY5RKCNH2ADRA1A
SCHEMBL3012961 0.78 NPY5R (0.55) NPY5RKCNH2ADRA1A
SCHEMBL3012959 0.78 NPY5R (0.55) NPY5RKCNH2ADRA1A

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 4 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 claimed
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 NPY5R 1/4885KCNH2 1468/4885ADRA1A 266/4885

“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.