SCHEMBL4719399

SCHEMBL4719399

Oc1[c]nn(-c2ccc(F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 2/20 0.36
FLT3 P36888 2/20 0.35
CA1 P00915 5/20 0.34
CA2 P00918 5/20 0.34
CA9 Q16790 4/20 0.34
CA12 O43570 3/20 0.34
MIF P14174 1/20 0.34
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA4 P22748 1/20 0.32
PTGS2 P35354 2/20 0.32
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 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
SCHEMBL4717229 0.80 GAA (0.47) NOTUMNPC1RAB9AKMT2AMIF
SCHEMBL8522855 0.70 CDK2 (0.42) NOTUMNPC1LMNARAB9AKMT2A
SCHEMBL2413135 0.67 GAA (0.66) NOTUMNPC1LMNARAB9AKMT2A
SCHEMBL2752440 0.65 NOTUM (0.44) NOTUMLMNAKMT2AFLT3CA1
SCHEMBL28947957 0.64 LMNA (0.42) NOTUMNPC1LMNARAB9AKMT2A
SCHEMBL1896258 0.64 NOTUM (0.47) NOTUMNPC1LMNARAB9AKMT2A
SCHEMBL6075526 0.64 KMT2A (0.53) NOTUMNPC1LMNARAB9AKMT2A
SCHEMBL4042811 0.64 NOTUM (0.42) NOTUMNPC1LMNARAB9AKMT2A
SCHEMBL15657033 0.60 NOTUM (0.47) NOTUMNPC1LMNAKMT2AFLT3
SCHEMBL23557718 0.60 PTGS2 (0.63) FLT3CA1CA2CA9CA12

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 3126/4885NPC1 1175/4885LMNA 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.