SCHEMBL4717229

SCHEMBL4717229

Oc1[c]nn(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
ESR2 Q92731 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
NOTUM Q6P988 3/20 0.39
HPGDS O60760 1/20 0.39
ALKBH2 Q6NS38 1/20 0.39
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
P2RX7 Q99572 1/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
USP2 O75604 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 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
SCHEMBL274416 0.75 NOTUM (0.39) GAAL3MBTL1NOTUMHPGDSALKBH2
SCHEMBL1856949 0.71 GAA (0.35) GAAL3MBTL1NOTUMHPGDSALKBH2
SCHEMBL7223213 0.69 MAPT (0.54) GAAL3MBTL1HPGDSALKBH2MAPT
SCHEMBL2419571 0.64 GAA (1.00) GAAESR2HPGDSALKBH2MAPT
SCHEMBL28561271 0.64 ALDH1A1 (0.53) GAAESR2L3MBTL1NOTUMHPGDS
SCHEMBL23028378 0.64 NOTUM (0.58) GAAL3MBTL1NOTUMP2RX7NPC1
SCHEMBL23398992 0.62 RAB9A (0.47) GAAESR2L3MBTL1MAPTALDH1A1
SCHEMBL430176 0.62 GAA (0.42) GAAL3MBTL1NOTUMHPGDSALKBH2
SCHEMBL8688598 0.61 MAPT (0.55) GAAESR2L3MBTL1MAPTALDH1A1
SCHEMBL13497188 0.61 ESR2 (0.46) GAAESR2L3MBTL1NOTUMHPGDS

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483266-B1 SPIRO COMPOUNDS WITH NPY ANTAGONISTIC ACTIVITY BANYU PHARMA CO LTD (JP) 2008-02-27 EP disclosed
US-7304072-B2 E.g.,cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro[cyclohexane-1,1'(3'H)-isobenzofuran]-4-carboxamide; useful as neuropeptide Y receptor antagonists and as agents for therapy of cardiovascular disorders, central nervous system disorders, metabolic diseases, respiratory and urogenital disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-04 US disclosed
US-20050032820-A1 Novel spiro compounds MSD K.K. (JP) 2005-02-10 US disclosed
WO-2003076443-A9 SPIRO COMPOUNDS WITH NPY ANTAGONISTIC ACTIVITY BANYU PHARMA CO LTD (JP) 2005-01-20 WO disclosed
EP-1483266-A1 SPIRO COMPOUNDS WITH NPY ANTAGONISTIC ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-12-08 EP disclosed
WO-2003076443-A1 SPIRO COMPOUNDS WITH NPY ANTAGONISTIC ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 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-20050032820-A1 Novel spiro compounds NR3C2, GPR119, NPY2R GAA 1832/4885ESR2 55/4885L3MBTL1 2831/4885

“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.