SCHEMBL6330335

SCHEMBL6330335

COC(=O)c1cccc(-c2coc(-c3nc(C4CCCCC4)[nH]c3COC34CC5CC(CC(C5)C3)C4)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.52
PDE4D Q08499 2/20 0.35
PDE7A Q13946 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
EPHX2 P34913 4/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPY5R Q15761 1/20 0.33
EPHX1 P07099 1/20 0.33
VDR P11473 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ACP1 P24666 1/20 0.32
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 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
SCHEMBL6334200 0.92 CCKBR (0.60) CCKBRNR1H4
SCHEMBL6332091 0.89 CCKBR (0.53) CCKBRNR1H4EPHX2ALDH1A1MAPT
SCHEMBL6332317 0.87 CCKBR (0.53) CCKBRNR1H4EPHX2ALDH1A1MAPT
SCHEMBL6333921 0.85 CCKBR (0.52) CCKBRPDE4DPDE7ANR1H4EPHX2
SCHEMBL6332094 0.84 CCKBR (0.53) CCKBRPDE4DPDE7ANR1H4EPHX2
SCHEMBL6097770 0.81 CCKBR (0.49) CCKBRALDH1A1MAPTHPGDNPY5R
SCHEMBL6339248 0.80 CCKBR (0.61) CCKBRNR1H4ALDH1A1HPGD
SCHEMBL6332766 0.80 CCKBR (0.37) CCKBRPDE4DPDE7ANR1H4EPHX2
SCHEMBL6332608 0.79 CCKBR (0.51) CCKBREPHX2ALDH1A1MAPTHPGD
SCHEMBL6095890 0.79 CCKBR (0.50) CCKBRALDH1A1HPGDNPY5R

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
US-6878734-B2 Gastrin and cholecystokinin receptor ligands(II) JAMES BLACK FOUNDATION LIMITED (GB) 2005-04-12 US disclosed
US-20030199565-A1 Gastrin and cholecystokinin receptor ligands(II) JAMES BLACK FOUNDATION LIMITED (GB) 2003-10-23 US disclosed
WO-2001085723-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (II) JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 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-20030199565-A1 Gastrin and cholecystokinin receptor ligands(II) GRPR, CCKBR, GIPR CCKBR 2/4885PDE4D 3416/4885PDE7A 1771/4885

“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.