SCHEMBL4716289

SCHEMBL4716289

CCOC(=O)c1nn(-c2ccccc2F)cc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.68
RAB9A P51151 9/20 0.68
LMNA P02545 1/20 0.65
ALDH1A1 P00352 10/20 0.61
SMN1; SMN2 Q16637 8/20 0.61
KDM4E B2RXH2 6/20 0.60
NPSR1 Q6W5P4 4/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPT P10636 4/20 0.54
TP53 P04637 3/20 0.54
HSD17B10 Q99714 3/20 0.54
HPGD P15428 2/20 0.54
ALOX15 P16050 2/20 0.54
GLA P06280 2/20 0.48
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL1809013 0.84 NPSR1 (0.54) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL11768308 0.84 ALDH1A1 (0.57) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL4715074 0.80 NPSR1 (0.50) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL165094 0.80 NPC1 (0.70) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL30030885 0.80 NPC1 (0.70) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL6231771 0.79 ALDH1A1 (0.46) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL168643 0.79 NPC1 (1.00) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL167497 0.78 NPC1 (0.67) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL407225 0.77 DGAT1 (0.48) LMNAALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL5804153 0.76 NPC1 (0.56) NPC1RAB9ALMNAALDH1A1SMN1; SMN2

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 NPC1 1175/4885RAB9A 2640/4885LMNA 2471/4885

“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.