SCHEMBL6097392

SCHEMBL6097392

COC(=O)c1ccc(O)c(N=Cc2nc(C3CCCCC3)n(Cc3ccccc3)c2COC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
CCKBR P32239 1/20 0.36
CFTR P13569 2/20 0.32
IDH1 O75874 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 2/20 0.31
TLR7 Q9NYK1 1/20 0.31
TPH1 P17752 1/20 0.31
TPH2 Q8IWU9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MDH1 P40925 1/20 0.31
MDH2 P40926 1/20 0.31

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
SCHEMBL6097387 1.00 CNR2 (0.36) CNR2CCKBRCFTRIDH1ALDH1A1
SCHEMBL6099003 0.77 CCKBR (0.39) CNR2CCKBRCFTRIDH1ALDH1A1
SCHEMBL6097679 0.73 CCKBR (0.40) CCKBRALDH1A1HTTKDM4EKMT2A
SCHEMBL6099089 0.72 RIPK1 (0.43) CCKBRKMT2A
Lithium Ion SCHEMBL6335206 0.72 KMT2A (0.39) CCKBRALDH1A1MAPTHTTTLR7
SCHEMBL6339911 0.63 CCKBR (0.44) CNR2CCKBRALDH1A1HTTKMT2A
SCHEMBL6159631 0.61 CCKBR (0.53) CCKBRMAPTKMT2ARAB9A
SCHEMBL7042644 0.61 CCKBR (0.69) CNR2CCKBRALDH1A1GAAMAPT
SCHEMBL6095890 0.60 CCKBR (0.50) CCKBRALDH1A1PKMKDM4ENPC1
SCHEMBL6333921 0.59 CCKBR (0.52) CCKBRALDH1A1MAPTHTTKMT2A

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 CNR2 66/4885CCKBR 2/4885CFTR 545/4885

“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.