SCHEMBL6498774

SCHEMBL6498774

Cn1c(COC23CC4CC(CC(C4)C2)C3)c(C(=O)Nc2cccc(C(=O)O)c2)c(=O)n1C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.55
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX2 P34913 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CCKAR P32238 1/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40

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
SCHEMBL6500295 0.91 MAPT (0.48) CCKBRMEN1NPC1RAB9AKMT2A
SCHEMBL6064507 0.79 CCKBR (0.63) CCKBRMEN1NPC1RAB9AKMT2A
SCHEMBL6489556 0.78 CCKBR (0.58) CCKBRMEN1NPC1RAB9AKMT2A
SCHEMBL6501963 0.78 CCKBR (0.56) CCKBRMEN1NPC1RAB9AKMT2A
SCHEMBL6064529 0.76 CCKBR (0.59) CCKBRMEN1NPC1RAB9AKMT2A
SCHEMBL6065076 0.76 CCKBR (0.64) CCKBRMEN1NPC1RAB9AKMT2A
SCHEMBL6064921 0.76 CCKBR (0.64) CCKBRMEN1NPC1RAB9AKMT2A
SCHEMBL6065068 0.75 CCKBR (0.59) CCKBRMEN1NPC1RAB9AKMT2A
SCHEMBL6158876 0.71 CCKBR (0.64) CCKBRMEN1NPC1RAB9AKMT2A
SCHEMBL6159682 0.71 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 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 1/4885MEN1 411/4885NPC1 1539/4885

“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.