SCHEMBL7115482

SCHEMBL7115482

O=C(O)c1cncc(-c2nnc(-c3nc(C4CCCCC4)[nH]c3COC34CC5CC(CC(C5)C3)C4)o2)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.51
NR1H4 Q96RI1 9/20 0.36
P2RX7 Q99572 1/20 0.35
BMP1 P13497 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
CPT2 P23786 1/20 0.30
CPT1A P50416 1/20 0.30

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 0.89 CCKBR (0.61) CCKBRNR1H4
SCHEMBL6332091 0.82 CCKBR (0.53) CCKBRNR1H4
SCHEMBL6332196 0.80 CCKBR (0.52) CCKBRNR1H4
SCHEMBL6096491 0.79 CCKBR (0.57) CCKBR
SCHEMBL6094324 0.79 CCKBR (0.57) CCKBR
SCHEMBL6334200 0.78 CCKBR (0.60) CCKBRNR1H4P2RX7
SCHEMBL6334704 0.77 CCKBR (0.61) CCKBRNR1H4CPT1A
SCHEMBL6334684 0.76 CCKBR (0.61) CCKBRNR1H4
SCHEMBL6330472 0.74 CCKBR (0.46) CCKBRNR1H4
SCHEMBL6334315 0.74 CCKBR (0.60) CCKBRNR1H4P2RX7CPT2CPT1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 79/4885P2RX7 1199/4885

“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.