SCHEMBL7043738

SCHEMBL7043738

O=C(OCc1ccccc1)c1cccc(-n2cnc(-n3c(COC45CC6CC(CC(C6)C4)C5)cnc3C3CCCCC3)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.37
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
JMJD6 Q6NYC1 1/20 0.33
FAAH O00519 1/20 0.33
CNR2 P34972 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
TSHR P16473 1/20 0.32
FKBP1A P62942 2/20 0.32
MAPT P10636 1/20 0.32
ELANE P08246 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
HPGD P15428 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31

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
SCHEMBL6334312 0.79 CCKBR (0.49) CCKBRALDH1A1LMNASMN1; SMN2HTT
SCHEMBL6159631 0.69 CCKBR (0.53) CCKBRTSHRMAPTRAB9A
SCHEMBL7041889 0.69 CCKBR (0.43) CCKBR
SCHEMBL6334304 0.68 CCKBR (0.60) CCKBR
SCHEMBL6097679 0.67 CCKBR (0.40) CCKBRALDH1A1LMNASMN1; SMN2HTT
SCHEMBL6330236 0.66 CCKBR (0.49) CCKBRALDH1A1LMNASMN1; SMN2HTT
SCHEMBL7083603 0.66 CCKBR (0.81) CCKBRRAB9A
SCHEMBL6330226 0.64 CCKBR (0.49) CCKBRALDH1A1LMNASMN1; SMN2HTT
SCHEMBL6330231 0.64 CCKBR (0.49) CCKBRALDH1A1LMNASMN1; SMN2HTT
SCHEMBL6096321 0.64 CCKBR (0.61) CCKBRFKBP1AADORA3

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 2/4885ALDH1A1 3993/4885LMNA 3987/4885

“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.