SCHEMBL6489013

SCHEMBL6489013

O=c1c(Br)c(COC23CC4CC(CC(C4)C2)C3)[nH]n1C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL6500948 0.72 PARP1 (0.30)
SCHEMBL6489101 0.67 CNR2 (0.31)
SCHEMBL6158023 0.60 CCKBR (0.66) CCKBR
SCHEMBL6064910 0.60 ALDH1A1 (0.33) CCKBRKDM4E
SCHEMBL6330927 0.59 CCKBR (0.59) CCKBR
SCHEMBL6490137 0.59 PTGS2 (0.38) CCKBR
SCHEMBL6332407 0.58 CCKBR (0.47) CCKBR
SCHEMBL6497641 0.58 PTGS2 (0.39) CCKBR
SCHEMBL6330166 0.56 CCKBR (0.41) CCKBR
SCHEMBL15172836 0.54 NPSR1 (0.32)

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-6956053-B2 Pyrazole derivatives and their use as gastrin and cholecystokin receptor ligands THE JAMES BLACK FOUNDATION LIMITED (GB) 2005-10-18 US disclosed
US-20030207874-A1 Pyrazole derivatives and their use as gastrin and cholecystokin receptor ligands JAMES BLACK FOUNDATION LIMITED, THE (GB) 2003-11-06 US disclosed
WO-2001090078-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS GASTRIN AND CHOLECYSTOKIN IN RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-29 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-20030207874-A1 Pyrazole derivatives and their use as gastrin and cholecystokin receptor ligands CCKBR, GRPR, CCKAR CCKBR 1/4885KDM4E 4847/4885

“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.