SCHEMBL4717016

SCHEMBL4717016

Nc1nn(-c2ccccc2F)cc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.47
LTA4H P09960 1/20 0.46
MAPK14 Q16539 1/20 0.46
BRD4 O60885 1/20 0.44
ADORA1 P30542 4/20 0.43
KDM1A O60341 4/20 0.41
ADORA2A P29274 1/20 0.41
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
NPC1 O15118 1/20 0.39
DCPS Q96C86 1/20 0.39
ROCK1 Q13464 1/20 0.38
PDE10A Q9Y233 1/20 0.38
PTGER1 P34995 1/20 0.37

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
SCHEMBL4718330 0.81 PTGER1 (0.49) BRD4NPC1PTGER1
SCHEMBL4715074 0.75 NPSR1 (0.50) BRD4NPC1PTGER1
SCHEMBL29514421 0.73 PKM (0.44) ADORA3MAPK14BRD4KDM1ANPC1
SCHEMBL22748471 0.73 PKM (0.44) ADORA3MAPK14BRD4KDM1ANPC1
SCHEMBL4716863 0.72 PTGER1 (0.45) BRD4NPC1PTGER1
SCHEMBL4267531 0.69 MRGPRX4 (0.63) LTA4HMAPK14KDM1AHTR1ASLC6A2
SCHEMBL2894699 0.68 KDM1A (0.57) LTA4HMAPK14KDM1AHTR1ASLC6A2
SCHEMBL4715703 0.66 MAPK14 (0.45) MAPK14ROCK1
SCHEMBL31710188 0.66 MAPK14 (0.45) MAPK14ROCK1
SCHEMBL4455302 0.66 ADORA1 (0.47) ADORA3MAPK14ADORA1NPC1

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 3 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

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 ADORA3 2951/4885LTA4H 1492/4885MAPK14 1966/4885

“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.