SCHEMBL6095890

SCHEMBL6095890

COC(=O)c1ccc2[nH]c(-c3nc(C4CCCCC4)[nH]c3COC34CC5CC(CC(C5)C3)C4)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.50
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
NPY5R Q15761 1/20 0.36
RHEB Q15382 1/20 0.36
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
BRD4 O60885 1/20 0.35
MMP2 P08253 1/20 0.33

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
SCHEMBL6094542 0.91 CCKBR (0.58) CCKBRCYP2D6CYP2C9
SCHEMBL6097770 0.84 CCKBR (0.49) CCKBRNPY5RNPC1ALDH1A1RAB9A
SCHEMBL6096366 0.82 CCKBR (0.52) CCKBR
SCHEMBL6099003 0.80 CCKBR (0.39) CCKBRFGFR1FLT1NPC1ALDH1A1
SCHEMBL6330335 0.79 CCKBR (0.52) CCKBRNPY5RALDH1A1HPGD
SCHEMBL6332094 0.78 CCKBR (0.53) CCKBRALDH1A1HPGD
SCHEMBL6332317 0.78 CCKBR (0.53) CCKBRNPC1ALDH1A1RAB9AHPGD
SCHEMBL6332091 0.78 CCKBR (0.53) CCKBRNPC1ALDH1A1RAB9AKDM4E
SCHEMBL6332608 0.78 CCKBR (0.51) CCKBRNPY5RALDH1A1HPGDCYP2C9
SCHEMBL6333921 0.77 CCKBR (0.52) CCKBRNPC1ALDH1A1RAB9ALMNA

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 2/4885FGFR1 423/4885FLT1 915/4885

“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.