SCHEMBL6330472

SCHEMBL6330472

O=C(O)c1cccc(-c2nnc(-c3nc(C45CCC(CC4)CC5)[nH]c3COC34CC5CC(CC(C5)C3)C4)o2)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.46
NR1H4 Q96RI1 7/20 0.44
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MYC P01106 1/20 0.37
VDR P11473 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6339248 0.85 CCKBR (0.61) CCKBRNR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL6332091 0.77 CCKBR (0.53) CCKBRNR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL6161003 0.76 CCKBR (0.73) CCKBR
SCHEMBL6334704 0.74 CCKBR (0.61) CCKBRNR1H4NPC1RAB9A
SCHEMBL7115482 0.74 CCKBR (0.51) CCKBRNR1H4
SCHEMBL6334200 0.74 CCKBR (0.60) CCKBRNR1H4
SCHEMBL6338361 0.72 CCKBR (0.44) CCKBRKDM4EALDH1A1
SCHEMBL6330249 0.71 CCKBR (0.43) CCKBRNR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL6334684 0.71 CCKBR (0.61) CCKBRNR1H4
SCHEMBL6332196 0.70 CCKBR (0.52) CCKBRNR1H4

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-6878734-B2 Gastrin and cholecystokinin receptor ligands(II) JAMES BLACK FOUNDATION LIMITED (GB) 2005-04-12 US disclosed
US-20030199565-A1 Gastrin and cholecystokinin receptor ligands(II) JAMES BLACK FOUNDATION LIMITED (GB) 2003-10-23 US disclosed
WO-2001085723-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (II) JAMES BLACK FOUNDATION LIMITED (GB) 2001-11-15 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-20030199565-A1 Gastrin and cholecystokinin receptor ligands(II) GRPR, CCKBR, GIPR CCKBR 2/4885NR1H4 79/4885NPC1 1740/4885

“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.