SCHEMBL6096366

SCHEMBL6096366

COC(=O)c1cccc2[nH]c(-c3nc(C4CCCCC4)[nH]c3COC34CC5CC(CC(C5)C3)C4)nc12

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.52
RIPK1 Q13546 2/20 0.47
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
PARP1 P09874 10/20 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
SCHEMBL6096460 0.91 CCKBR (0.56) CCKBRPARP1
SCHEMBL6095890 0.82 CCKBR (0.50) CCKBR
SCHEMBL6099089 0.81 RIPK1 (0.43) CCKBRRIPK1PKN1PKN2PARP1
SCHEMBL6094542 0.76 CCKBR (0.58) CCKBR
SCHEMBL6330335 0.76 CCKBR (0.52) CCKBR
SCHEMBL6332317 0.75 CCKBR (0.53) CCKBR
SCHEMBL6332091 0.75 CCKBR (0.53) CCKBR
SCHEMBL6332094 0.75 CCKBR (0.53) CCKBR
SCHEMBL6333921 0.74 CCKBR (0.52) CCKBR
SCHEMBL7042644 0.73 CCKBR (0.69) CCKBR

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-7034048-B2 Gastrin and cholecystokinin receptor ligands (III) JAMES BLACK FOUNDATION LIMITED (GB) 2006-04-25 US disclosed
US-20030191116-A1 Gastrin and cholecystokinin receptor ligands (III) JAMES BLACK FOUNDATION LIMITED (GB) 2003-10-09 US disclosed
WO-2001085724-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (III) 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-20030191116-A1 Gastrin and cholecystokinin receptor ligands (III) CCKAR, CCKBR, GRPR CCKBR 2/4885RIPK1 3153/4885PKN1 2678/4885

“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.