SCHEMBL6330236

SCHEMBL6330236

O=C(OCc1ccccc1)c1cccc(C2N=CON2c2nc(C3CCCCC3)[nH]c2COC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
FKBP1A P62942 2/20 0.32
STAT3 P40763 2/20 0.32
ADORA1 P30542 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
FAAH O00519 1/20 0.31
CNR2 P34972 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
SCHEMBL6332353 0.91 CCKBR (0.59) CCKBR
SCHEMBL6330226 0.87 CCKBR (0.49) CCKBRSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL7985188 0.80 CCKBR (0.46) CCKBR
SCHEMBL6330231 0.80 CCKBR (0.49) CCKBRSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL6334312 0.79 CCKBR (0.49) CCKBRSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL7083603 0.77 CCKBR (0.81) CCKBRRAB9A
SCHEMBL6096321 0.77 CCKBR (0.61) CCKBRFKBP1AADORA3
SCHEMBL6332349 0.77 CCKBR (0.59) CCKBR
SCHEMBL6332186 0.75 CCKBR (0.60) CCKBRRAB9AFKBP1AFAAHCNR2
SCHEMBL6332182 0.75 CCKBR (0.60) CCKBRRAB9AFKBP1AFAAHCNR2

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 2/4885SMN1; SMN2 4720/4885NPC1 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.