SCHEMBL6158527

SCHEMBL6158527

CCOC(=O)c1c(CCC23CC4CC(CC(C4)C2)C3)nc(-c2ccccc2C)n1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
CNR2 P34972 1/20 0.38
P2RX7 Q99572 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 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
SCHEMBL6159838 0.84 PPARG (0.39) PPARGCNR2P2RX7
SCHEMBL6161902 0.79
SCHEMBL6159879 0.78 ALDH1A1 (0.40) MEN1KMT2A
SCHEMBL6157910 0.77 P2RX7 (0.36) P2RX7
SCHEMBL6159195 0.77
SCHEMBL7085195 0.76 P2RX7 (0.39) P2RX7
SCHEMBL6160714 0.75
SCHEMBL6159791 0.75 EPHX2 (0.34) MEN1KMT2A
SCHEMBL6157631 0.75
SCHEMBL6160412 0.75 CYP19A1 (0.40) HPGDMAPK1

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 310/4885CNR2 56/4885P2RX7 461/4885

“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.