SCHEMBL3004565

SCHEMBL3004565

O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)CN1c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 17/20 0.60
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
OPRM1 P35372 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL3004561 1.00 NPY5R (0.60) NPY5RADORA3ADORA2AADORA1OPRM1
SCHEMBL3005853 0.90 NPY5R (0.54) NPY5RADORA2AADORA1
SCHEMBL3004972 0.90 NPY5R (0.54) NPY5RADORA2AADORA1
SCHEMBL3004969 0.90 NPY5R (0.54) NPY5RADORA2AADORA1
SCHEMBL3004182 0.88 NPY5R (0.58) NPY5RADORA3ADORA2AADORA1
SCHEMBL3004180 0.88 NPY5R (0.58) NPY5RADORA3ADORA2AADORA1
Hydrochloric Acid SCHEMBL2999187 0.87 NPY5R (0.57) NPY5RADORA3ADORA2AADORA1
Hydrochloric Acid SCHEMBL2999184 0.87 NPY5R (0.57) NPY5RADORA3ADORA2AADORA1
SCHEMBL2999785 0.87 NPY5R (0.44) NPY5ROPRM1SIGMAR1
SCHEMBL2999784 0.87 NPY5R (0.44) NPY5ROPRM1SIGMAR1

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 2 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

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 1/4885ADORA3 546/4885ADORA2A 1395/4885

“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.