SCHEMBL2999784

SCHEMBL2999784

O=C(Nc1cnc(Br)cn1)C1CCC2(CC1)CN(c1ccccc1)C(=O)O2

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 18/20 0.44
OPRM1 P35372 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ADRA1A P35348 4/20 0.40
KCNH2 Q12809 4/20 0.40
OPRL1 P41146 1/20 0.39

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
SCHEMBL2999785 1.00 NPY5R (0.44) NPY5ROPRM1SIGMAR1ADRA1AKCNH2
SCHEMBL3004565 0.87 NPY5R (0.60) NPY5ROPRM1SIGMAR1
SCHEMBL3004561 0.87 NPY5R (0.60) NPY5ROPRM1SIGMAR1
SCHEMBL3010756 0.85 NPY5R (0.46) NPY5ROPRM1SIGMAR1ADRA1AKCNH2
SCHEMBL3005653 0.85 NPY5R (0.46) NPY5ROPRM1SIGMAR1ADRA1AKCNH2
SCHEMBL3004969 0.85 NPY5R (0.54) NPY5R
SCHEMBL3004972 0.85 NPY5R (0.54) NPY5R
SCHEMBL3005853 0.85 NPY5R (0.54) NPY5R
Hydrochloric Acid SCHEMBL3008669 0.84 NPY5R (0.45) NPY5ROPRM1SIGMAR1ADRA1AKCNH2
Hydrochloric Acid SCHEMBL3008667 0.84 NPY5R (0.45) NPY5ROPRM1SIGMAR1ADRA1AKCNH2

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 1/4885OPRM1 63/4885SIGMAR1 52/4885

“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.