SCHEMBL6094324

SCHEMBL6094324

O=C(O)c1ccc2oc(-c3nc(C4CCCCC4)[nH]c3COC34CC5CC(CC(C5)C3)C4)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.57
HDAC6 Q9UBN7 5/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
STS P08842 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
KMO O15229 1/20 0.31
S1PR1 P21453 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CETP P11597 1/20 0.31

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
SCHEMBL6096491 0.93 CCKBR (0.57) CCKBRRAB9ANPC1STSMEN1
SCHEMBL6097770 0.91 CCKBR (0.49) CCKBRHDAC6RAB9ANPC1HPGD
SCHEMBL6098547 0.89 CCKBR (0.48) CCKBR
SCHEMBL6094542 0.83 CCKBR (0.58) CCKBRKMO
SCHEMBL6339248 0.82 CCKBR (0.61) CCKBRRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL6334200 0.80 CCKBR (0.60) CCKBRKMO
SCHEMBL6334704 0.79 CCKBR (0.61) CCKBRRAB9ANPC1S1PR1
SCHEMBL7115482 0.79 CCKBR (0.51) CCKBR
SCHEMBL6338529 0.77 CCKBR (0.59) CCKBRKMO
SCHEMBL6332196 0.76 CCKBR (0.52) 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-7034048-B2 Gastrin and cholecystokinin receptor ligands (III) JAMES BLACK FOUNDATION LIMITED (GB) 2006-04-25 US disclosed
US-20030191116-A1 Gastrin and cholecystokinin receptor ligands (III) JAMES BLACK FOUNDATION LIMITED (GB) 2003-10-09 US disclosed
WO-2001085724-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (III) 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-20030191116-A1 Gastrin and cholecystokinin receptor ligands (III) CCKAR, CCKBR, GRPR CCKBR 2/4885HDAC6 3349/4885RAB9A 1860/4885

“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.