SCHEMBL4716319

SCHEMBL4716319

Oc1[c]nn(-c2ccccc2F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
ADORA1 P30542 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MGLL Q99685 1/20 0.35
GRM4 Q14833 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSP90AA1 P07900 2/20 0.33
PARP1 P09874 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL1898960 0.79 ADORA1 (0.42) NOTUMADORA1MEN1KMT2AMGLL
SCHEMBL4717229 0.73 GAA (0.47) NOTUMMEN1KMT2ARAB9APOLB
SCHEMBL15352278 0.67 NOTUM (0.44) NOTUMADORA1MEN1KMT2AMGLL
SCHEMBL29959258 0.67 NOTUM (0.44) NOTUMADORA1MEN1KMT2AMGLL
SCHEMBL1891782 0.67 NOTUM (0.40) NOTUMADORA1MEN1KMT2AMGLL
SCHEMBL30482913 0.64 GRM4 (0.47) NOTUMADORA1GRM4ALDH1A1TSHR
SCHEMBL29793813 0.64 NOTUM (0.50) NOTUMADORA1MEN1KMT2AMGLL
SCHEMBL20605667 0.64 NOTUM (0.50) NOTUMADORA1MEN1KMT2AMGLL
SCHEMBL2902914 0.64 NOTUM (0.41) NOTUMADORA1MEN1KMT2AMGLL
SCHEMBL6231771 0.64 ALDH1A1 (0.46) NOTUMADORA1KMT2AADORA3RAB9A

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 NOTUM 3126/4885ADORA1 1911/4885MEN1 1284/4885

“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.