SCHEMBL6097770

SCHEMBL6097770

COC(=O)c1ccc2oc(-c3nc(C4CCCCC4)[nH]c3COC34CC5CC(CC(C5)C3)C4)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.49
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
MAPT P10636 4/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
HDAC6 Q9UBN7 4/20 0.36
NPY5R Q15761 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NPC1 O15118 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSPD1 P10809 2/20 0.34
PTPN2 P17706 2/20 0.34

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
SCHEMBL6094324 0.91 CCKBR (0.57) CCKBRRAB9ASMN1; SMN2HDAC6HDAC3
SCHEMBL6098547 0.85 CCKBR (0.48) CCKBRKDM4E
SCHEMBL6096491 0.85 CCKBR (0.57) CCKBRRAB9ANPC1
SCHEMBL6095890 0.84 CCKBR (0.50) CCKBRRAB9ASMN1; SMN2NPY5RNPC1
SCHEMBL6332091 0.83 CCKBR (0.53) CCKBRMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL6330335 0.81 CCKBR (0.52) CCKBRMAPTNPY5RALDH1A1HPGD
SCHEMBL6332317 0.80 CCKBR (0.53) CCKBRMAPTRAB9ANPC1ALDH1A1
SCHEMBL6096147 0.79 RAB9A (0.38) CCKBRALOX5APFEN1MAPTRAB9A
SCHEMBL6332608 0.78 CCKBR (0.51) CCKBRMAPTNPY5RALDH1A1HPGD
SCHEMBL6332094 0.77 CCKBR (0.53) CCKBRMAPTALDH1A1HPGD

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 2/4885ALOX5AP 1884/4885FEN1 3873/4885

“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.