SCHEMBL6159838

SCHEMBL6159838

CCOC(=O)c1nc(-c2ccccc2C)n(C)c1CCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRA1 P14867 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
CNR2 P34972 1/20 0.38
P2RX7 Q99572 2/20 0.36

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
SCHEMBL7085195 0.88 P2RX7 (0.39) P2RX7
SCHEMBL6160412 0.86 CYP19A1 (0.40)
SCHEMBL6158527 0.84 PPARG (0.39) PPARGCNR2P2RX7
SCHEMBL6157910 0.79 P2RX7 (0.36) P2RX7
SCHEMBL6157631 0.79
SCHEMBL6162431 0.79 P2RX7 (0.35) CNR2P2RX7
SCHEMBL7080666 0.78 TARBP2 (0.41) PPARGCNR2
SCHEMBL7083639 0.78 P2RX7 (0.39) PPARGCNR2P2RX7
SCHEMBL6161308 0.78 EPHX2 (0.39)
SCHEMBL7080456 0.78

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-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
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
WO-2001085167-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PROTON PUMP INHIBITORS AND GASTRIN/CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 WO disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 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-20030195240-A1 Pharmaceutical compositions comprising proton pump inhibitors and gastrin/cholecystokinin receptor ligands GIPR, CCKAR, CCKBR PPARG 310/4885GABRG2 266/4885GABRB3 258/4885

“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.