SCHEMBL6158023

SCHEMBL6158023

O=C(O)c1nc(C2CCCCC2)[nH]c1COC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.66
SCN9A Q15858 1/20 0.32
CCR2 P41597 2/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL6330927 0.89 CCKBR (0.59) CCKBRSCN9ACCR2
SCHEMBL6159765 0.88 CCKBR (0.56) CCKBRSCN9ACYP2D6CYP2C9
SCHEMBL6330221 0.87 CCKBR (0.65) CCKBRSCN9ACCR2CYP2D6CYP2C9
SCHEMBL6096321 0.83 CCKBR (0.61) CCKBR
SCHEMBL6336985 0.83 CCKBR (0.53) CCKBR
SCHEMBL6336982 0.83 CCKBR (0.58) CCKBR
SCHEMBL6159328 0.82 CCKBR (0.50) CCKBRSCN9ACYP2D6CYP2C9
SCHEMBL6330195 0.82 CCKBR (0.52) CCKBRSCN9ACCR2CYP2D6CYP2C9
SCHEMBL6158657 0.82 CCKBR (0.47) CCKBR
SCHEMBL6159682 0.80 CCKBR (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6878734-B2 Gastrin and cholecystokinin receptor ligands(II) JAMES BLACK FOUNDATION LIMITED (GB) 2005-04-12 US disclosed
US-20030199565-A1 Gastrin and cholecystokinin receptor ligands(II) JAMES BLACK FOUNDATION LIMITED (GB) 2003-10-23 US disclosed
US-20030195240-A1 Pharmaceutical compositions comprising proton pump inhibitors and gastrin/cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2003-10-16 US disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
WO-2001085723-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (II) 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 (2 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-20030199565-A1 Gastrin and cholecystokinin receptor ligands(II) GRPR, CCKBR, GIPR CCKBR 2/4885SCN9A 2377/4885CCR2 260/4885
US-20030195240-A1 Pharmaceutical compositions comprising proton pump inhibitors and gastrin/cholecystokinin receptor ligands GIPR, CCKAR, CCKBR CCKBR 3/4885SCN9A 674/4885CCR2 979/4885

“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.