SCHEMBL6332091

SCHEMBL6332091

COC(=O)c1cccc(-c2nnc(-c3nc(C4CCCCC4)[nH]c3COC34CC5CC(CC(C5)C3)C4)o2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.53
VDR P11473 1/20 0.38
ALDH1A1 P00352 5/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 3/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NR1H4 Q96RI1 2/20 0.35
HPGD P15428 2/20 0.35
EPHX2 P34913 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
EPHX1 P07099 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
SCHEMBL6339248 0.91 CCKBR (0.61) CCKBRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6332317 0.89 CCKBR (0.53) CCKBRVDRALDH1A1NPC1RAB9A
SCHEMBL6330335 0.89 CCKBR (0.52) CCKBRVDRALDH1A1MAPTNR1H4
SCHEMBL6332094 0.86 CCKBR (0.53) CCKBRALDH1A1MAPTNR1H4HPGD
SCHEMBL6333921 0.84 CCKBR (0.52) CCKBRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6097770 0.83 CCKBR (0.49) CCKBRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7115482 0.82 CCKBR (0.51) CCKBRNR1H4
SCHEMBL6334704 0.80 CCKBR (0.61) CCKBRNPC1RAB9ANR1H4
SCHEMBL6332608 0.80 CCKBR (0.51) CCKBRALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL6334200 0.80 CCKBR (0.60) CCKBRNR1H4

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-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
WO-2001085723-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS (II) 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-20030199565-A1 Gastrin and cholecystokinin receptor ligands(II) GRPR, CCKBR, GIPR CCKBR 2/4885VDR 134/4885ALDH1A1 3993/4885

“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.