SCHEMBL4718140

SCHEMBL4718140

O=C(c1ccccc1)c1ccc(NC(=O)C2(O)CCC3(CC2)OC(=O)c2ccc[n+]([O-])c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
RAB9A P51151 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.35
FFAR1 O14842 1/20 0.34
EPHX2 P34913 1/20 0.34
NPY5R Q15761 2/20 0.33
TP53 P04637 1/20 0.33
HDAC1 Q13547 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL4718143 1.00 LMNA (0.36) LMNARAB9AMEN1KMT2ANPC1
SCHEMBL4718192 0.83 NPY5R (0.43) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL4718193 0.83 NPY5R (0.43) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL4718197 0.82 NPY5R (0.47) LMNARAB9AMEN1KMT2ANPC1
SCHEMBL4718199 0.82 NPY5R (0.47) LMNARAB9AMEN1KMT2ANPC1
SCHEMBL4715403 0.82 NPY5R (0.37) LMNARAB9AMAPK1L3MBTL1MAPT
SCHEMBL4715405 0.82 NPY5R (0.37) LMNARAB9AMAPK1L3MBTL1MAPT
SCHEMBL4715764 0.82 CNR1 (0.39) NPY5R
SCHEMBL4715759 0.82 CNR1 (0.39) NPY5R
SCHEMBL4713341 0.82 NPY5R (0.36) LMNARAB9AMEN1KMT2ANPC1

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 claimed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 LMNA 3598/4885RAB9A 3726/4885MEN1 720/4885
US-20050032820-A1 Novel spiro compounds NR3C2, GPR119, NPY2R LMNA 2471/4885RAB9A 2640/4885MEN1 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.