SCHEMBL6830971

SCHEMBL6830971

O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccc(F)cc4)n3)CC2)c2c1c(O)cc[n+]2[O-]

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 14/20 0.59
DRD3 P35462 1/20 0.45
ELOVL1 Q9BW60 4/20 0.37
DEGS1 O15121 1/20 0.36

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
SCHEMBL6830969 1.00 NPY5R (0.59) NPY5RDRD3ELOVL1DEGS1
SCHEMBL4714625 0.87 NPY5R (0.66) NPY5RDRD3ELOVL1
SCHEMBL4714629 0.87 NPY5R (0.66) NPY5RDRD3ELOVL1
SCHEMBL4712593 0.79 NPY5R (0.72) NPY5RDRD3
SCHEMBL4712597 0.79 NPY5R (0.72) NPY5RDRD3
SCHEMBL2658975 0.75 NPY5R (0.71) NPY5RDRD3
SCHEMBL2658977 0.75 NPY5R (0.71) NPY5RDRD3
SCHEMBL2660138 0.75 NPY5R (1.00) NPY5RDRD3
SCHEMBL2660140 0.75 NPY5R (1.00) NPY5RDRD3
SCHEMBL4713991 0.74 NPY5R (0.69) NPY5RDRD3ELOVL1

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-6803372-B2 SUCH AS CIS-N-(4-BENZOYLPHENYL)-4-HYDROXY-3'-OXOSPIRO (CYCLOHEXANE-1,1' (3'H)-ISOBENZOFURAN)-4-CARBOXAMIDE FOR USE AS NEUROPEPTIDE Y RECEPTOR ANTAGONIST FOR TREATMENT BULIMIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-10-12 US claimed
US-20020188124-A1 Such as cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro (cyclohexane-1,1' (3'H)-isobenzofuran)-4-carboxamide for use as neuropeptide Y receptor antagonist for treatment bulimia, obesity or diabetes MSD K.K. (JP) 2002-12-12 US claimed

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-20020188124-A1 Such as cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro (cyclohexane-1,1' (3'H)-isobenzofuran)-4-carboxamide for use as neuropeptide Y receptor antagonist for treatment bulimia, obesity or diabetes NPY1R, GPR119, NPY2R NPY5R 13/4885DRD3 319/4885ELOVL1 1665/4885

“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.