SCHEMBL6096491

SCHEMBL6096491

O=C(O)c1ccc2nc(-c3nc(C4CCCCC4)[nH]c3COC34CC5CC(CC(C5)C3)C4)oc2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.57
TTR P02766 1/20 0.38
ALB P02768 1/20 0.38
MAOA P21397 1/20 0.38
CNR1 P21554 1/20 0.38
DRD1 P21728 1/20 0.38
OPRD1 P41143 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3A Q14432 1/20 0.38
RAB9A P51151 3/20 0.35
NPC1 O15118 3/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MGLL Q99685 1/20 0.34
ADORA2A P29274 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
STS P08842 1/20 0.32
POLB P06746 2/20 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
SCHEMBL6094324 0.93 CCKBR (0.57) CCKBRRAB9ANPC1KMT2AMEN1
SCHEMBL6097770 0.85 CCKBR (0.49) CCKBRRAB9ANPC1
SCHEMBL6098547 0.84 CCKBR (0.48) CCKBR
SCHEMBL6339248 0.82 CCKBR (0.61) CCKBRRAB9ANPC1KMT2AMEN1
SCHEMBL6094542 0.81 CCKBR (0.58) CCKBRPDE4D
SCHEMBL6334200 0.80 CCKBR (0.60) CCKBR
SCHEMBL6334704 0.79 CCKBR (0.61) CCKBRRAB9ANPC1
SCHEMBL7115482 0.79 CCKBR (0.51) CCKBR
SCHEMBL6332196 0.76 CCKBR (0.52) CCKBR
SCHEMBL6334684 0.75 CCKBR (0.61) CCKBRPDE4D

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 2/4885TTR 3193/4885ALB 2913/4885

“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.