SCHEMBL6064596

SCHEMBL6064596

COC(=O)c1c(COC23CC4CC(CC(C4)C2)C3)nnn1C1CCCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
TP53 P04637 2/20 0.37
CNR2 P34972 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
SCN9A Q15858 3/20 0.34
CCKBR P32239 1/20 0.33
HSD11B1 P28845 1/20 0.32
PSMB8 P28062 1/20 0.32
PSMB9 P28065 1/20 0.32
PSMB5 P28074 1/20 0.32
POLB P06746 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
SCHEMBL6065524 0.83 CNR2 (0.37) ALDH1A1TP53CNR2KDM4EGLA
SCHEMBL6064529 0.76 CCKBR (0.59) TP53MEN1KMT2ACCKBR
SCHEMBL6489101 0.70 CNR2 (0.31) CNR2
SCHEMBL6064910 0.70 ALDH1A1 (0.33) ALDH1A1TP53CNR2KDM4EGLA
SCHEMBL6497641 0.67 PTGS2 (0.39) CNR2SCN9ACCKBRHSD11B1
SCHEMBL6490137 0.66 PTGS2 (0.38) ALDH1A1CNR2SCN9ACCKBR
SCHEMBL6064507 0.65 CCKBR (0.63) TP53MEN1KMT2ACCKBR
SCHEMBL7984023 0.65 PTGS2 (0.36) ALDH1A1CNR2SCN9ACCKBR
SCHEMBL31667331 0.64 ALDH1A1 (0.35) ALDH1A1TP53CNR2KDM4EGAA
SCHEMBL6330195 0.63 CCKBR (0.52) SCN9ACCKBR

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-7105558-B2 Gastrin and cholecystokinin receptor lignads (iv) THE JAMES BLACK FOUNDATION LIMITED (GB) 2006-09-12 US disclosed
US-20030195237-A1 Gastrin and cholecystokinin receptor lignads (iv) JAMES BLACK FOUNDATION LIMITED (GB) 2003-10-16 US disclosed
WO-2001085704-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (IV) 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-20030195237-A1 Gastrin and cholecystokinin receptor lignads (iv) CCKAR, CCKBR, GRPR ALDH1A1 4312/4885TP53 4624/4885CNR2 19/4885

“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.