SCHEMBL6094542

SCHEMBL6094542

O=C(O)c1ccc2[nH]c(-c3nc(C4CCCCC4)[nH]c3COC34CC5CC(CC(C5)C3)C4)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.58
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
PRSS12 P56730 2/20 0.33
HTR2B P41595 1/20 0.33
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
SRD5A2 P31213 1/20 0.32
KMO O15229 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 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
SCHEMBL6095890 0.91 CCKBR (0.50) CCKBRCYP2D6CYP2C9
SCHEMBL6094324 0.83 CCKBR (0.57) CCKBRKMO
SCHEMBL6096491 0.81 CCKBR (0.57) CCKBRPDE4D
SCHEMBL6096460 0.81 CCKBR (0.56) CCKBR
SCHEMBL6334200 0.78 CCKBR (0.60) CCKBRKMO
SCHEMBL6339248 0.77 CCKBR (0.61) CCKBRCYP2C9CYP3A4CYP2C19
SCHEMBL6334684 0.77 CCKBR (0.61) CCKBRPDE4DKMO
SCHEMBL6334704 0.77 CCKBR (0.61) CCKBR
SCHEMBL6338529 0.77 CCKBR (0.59) CCKBRKMO
SCHEMBL6334315 0.76 CCKBR (0.60) 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 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 2/4885PDE4A 4215/4885PDE4B 4438/4885

“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.