SCHEMBL7042644

SCHEMBL7042644

COC(=O)c1cccc(C(=O)NNC(=O)c2nc(C3CCCCC3)[nH]c2COC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.69
EPHX2 P34913 3/20 0.39
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.36
MEN1 O00255 1/20 0.35
FAAH O00519 1/20 0.35
CNR2 P34972 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6332710 0.87 CCKBR (0.60) CCKBREPHX2EPHX1ALDH1A1CYP1A2
SCHEMBL6337762 0.86 CCKBR (0.61) CCKBREPHX2EPHX1ALDH1A1CYP1A2
SCHEMBL6159592 0.83 CCKBR (0.73) CCKBREPHX2ALDH1A1MAPTHPGD
SCHEMBL6159682 0.81 CCKBR (1.00) CCKBR
SCHEMBL6160905 0.81 CCKBR (1.00) CCKBR
SCHEMBL6160887 0.81 CCKBR (1.00) CCKBR
SCHEMBL7083603 0.80 CCKBR (0.81) CCKBRRAB9A
SCHEMBL6330221 0.80 CCKBR (0.65) CCKBRALDH1A1CYP2C9NPSR1MEN1
SCHEMBL6332317 0.79 CCKBR (0.53) CCKBREPHX2ALDH1A1MAPTHPGD
SCHEMBL6332094 0.79 CCKBR (0.53) CCKBREPHX2EPHX1ALDH1A1MAPT

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 2/4885EPHX2 2106/4885EPHX1 2942/4885

“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.