SCHEMBL6099003

SCHEMBL6099003

COC(=O)c1ccc2[nH]c(-c3nc(C4CCCCC4)n(Cc4ccccc4)c3COC34CC5CC(CC(C5)C3)C4)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.39
FGFR1 P11362 1/20 0.37
FLT1 P17948 1/20 0.37
TPH1 P17752 1/20 0.37
TPH2 Q8IWU9 1/20 0.37
CFTR P13569 2/20 0.35
IDH1 O75874 1/20 0.35
KMT2A Q03164 1/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL6099089 0.85 RIPK1 (0.43) CCKBRKMT2A
SCHEMBL6096147 0.85 RAB9A (0.38) CCKBRCFTRIDH1KMT2AHPGD
SCHEMBL6095890 0.80 CCKBR (0.50) CCKBRFGFR1FLT1HPGDNPC1
SCHEMBL6097387 0.77 CNR2 (0.36) CCKBRTPH1TPH2CFTRIDH1
SCHEMBL6097392 0.77 CNR2 (0.36) CCKBRTPH1TPH2CFTRIDH1
SCHEMBL6097679 0.74 CCKBR (0.40) CCKBRKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6335210 0.73 KMT2A (0.39) CCKBRKMT2ARAB9ASMN1; SMN2KDM4E
SCHEMBL6094542 0.73 CCKBR (0.58) CCKBR
SCHEMBL6097590 0.73 KMT2A (0.40) CCKBRKMT2ARAB9ASMN1; SMN2KDM4E
Lithium Ion SCHEMBL6335206 0.72 KMT2A (0.39) CCKBRKMT2ARAB9ASMN1; SMN2KDM4E

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.