SCHEMBL6489101

SCHEMBL6489101

COc1c(Br)c(COC23CC4CC(CC(C4)C2)C3)nn1C1CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL6500868 0.89 PTGS2 (0.33)
SCHEMBL6497641 0.73 PTGS2 (0.39) CNR2
SCHEMBL6501963 0.70 CCKBR (0.56)
SCHEMBL6064596 0.70 ALDH1A1 (0.37) CNR2
SCHEMBL7984023 0.68 PTGS2 (0.36) CNR2
SCHEMBL6490137 0.68 PTGS2 (0.38) CNR2
SCHEMBL6489013 0.67 CCKBR (0.33)
SCHEMBL6500948 0.66 PARP1 (0.30)
SCHEMBL6065524 0.65 CNR2 (0.37) CNR2
SCHEMBL6330195 0.57 CCKBR (0.52)

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 CNR2 112/4885PDE4A 3588/4885PDE4B 2630/4885

“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.