SCHEMBL4715742

SCHEMBL4715742

CCOC(=O)c1n[nH]c(-c2ccccc2F)c1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
ALOX5 P09917 2/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HSP90AA1 P07900 1/20 0.41
GABRG2 P18507 5/20 0.40
GABRB3 P28472 5/20 0.40
GABRA3 P34903 5/20 0.40
GABRA1 P14867 4/20 0.40
GABRA5 P31644 4/20 0.40
GABRA2 P47869 4/20 0.40
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRA4 P48169 2/20 0.40
GABRE P78334 2/20 0.40

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
SCHEMBL6230832 0.86 PTGER1 (0.44) KDM4ESMN1; SMN2BRD4ALDH1A1NPC1
SCHEMBL1809016 0.77 KDM4E (0.48) KDM4EPOLBALOX5JAK2JAK3
SCHEMBL20751064 0.76 POLB (0.51) KDM4EPOLBKMT2AMEN1HSP90AA1
SCHEMBL31601642 0.76 KMT2A (0.47) KDM4EKMT2AMEN1HSP90AA1GABRG2
SCHEMBL25037159 0.76 KMT2A (0.47) KDM4EKMT2AMEN1HSP90AA1GABRG2
SCHEMBL6231126 0.75 IKBKE (0.42) POLBSMN1; SMN2BRD4MAPTRAB9A
SCHEMBL30038944 0.73 MEN1 (0.45) KDM4EKMT2AMEN1HSP90AA1GABRG2
SCHEMBL25035262 0.72 GABRA1 (0.46) KMT2AMEN1HSP90AA1GABRG2GABRB3
SCHEMBL21750060 0.71 GABRA1 (0.44) KDM4EKMT2AMEN1HSP90AA1GABRG2
SCHEMBL20307754 0.70 KDM4E (0.53) KDM4EPOLBKMT2AMEN1GABRA2

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 5 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
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 KDM4E 3341/4885POLB 3339/4885ALOX5 398/4885

“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.