SCHEMBL6339248

SCHEMBL6339248

O=C(O)c1cccc(-c2nnc(-c3nc(C4CCCCC4)[nH]c3COC34CC5CC(CC(C5)C3)C4)o2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.61
NR1H4 Q96RI1 4/20 0.42
SMN1; SMN2 Q16637 5/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MYC P01106 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
SCHEMBL6332091 0.91 CCKBR (0.53) CCKBRNR1H4SMN1; SMN2NPC1RAB9A
SCHEMBL6334704 0.89 CCKBR (0.61) CCKBRNR1H4NPC1RAB9AL3MBTL1
SCHEMBL7115482 0.89 CCKBR (0.51) CCKBRNR1H4
SCHEMBL6334200 0.88 CCKBR (0.60) CCKBRNR1H4
SCHEMBL6334684 0.85 CCKBR (0.61) CCKBRNR1H4
SCHEMBL6330472 0.85 CCKBR (0.46) CCKBRNR1H4SMN1; SMN2NPC1RAB9A
SCHEMBL6332196 0.85 CCKBR (0.52) CCKBRNR1H4
SCHEMBL6334315 0.83 CCKBR (0.60) CCKBRNR1H4SMN1; SMN2NPC1RAB9A
SCHEMBL6096491 0.82 CCKBR (0.57) CCKBRNPC1RAB9AMEN1KMT2A
SCHEMBL6094324 0.82 CCKBR (0.57) CCKBRSMN1; SMN2NPC1RAB9AHPGD

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 2 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

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 79/4885SMN1; SMN2 4720/4885

“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.