SCHEMBL7045618

SCHEMBL7045618

COC(=O)c1cccc(C(=O)NNC(=O)C2=C(COC34CC5CC(CC(C5)C3)C4)NC(C3CCCCC3)N2OCc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.39
FAAH O00519 2/20 0.38
CNR2 P34972 2/20 0.38
EPHX2 P34913 4/20 0.37
EPHX1 P07099 1/20 0.37
PPM1D O15297 2/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP3A4 P08684 1/20 0.34
LMNA P02545 2/20 0.33
USP2 O75604 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL6330066 0.88 CCKBR (0.35) CCKBRFAAHCNR2EPHX2EPHX1
SCHEMBL6332402 0.85 CCKBR (0.37) CCKBRFAAHCNR2EPHX2HPGD
SCHEMBL6334399 0.83 CCKBR (0.37) CCKBRFAAHCNR2EPHX2HPGD
SCHEMBL6331005 0.82 TSHR (0.39) CCKBREPHX2ALDH1A1MAPTCYP3A4
SCHEMBL6340323 0.81 SMN1; SMN2 (0.42) CCKBRFAAHCNR2EPHX2EPHX1
SCHEMBL6334504 0.74 TSHR (0.40) CCKBREPHX2ALDH1A1MAPTCYP3A4
SCHEMBL6338565 0.73 SMN1; SMN2 (0.40) CCKBRFAAHCNR2ALDH1A1CYP2C19
SCHEMBL7042644 0.70 CCKBR (0.69) CCKBRFAAHCNR2EPHX2EPHX1
SCHEMBL6334377 0.63 CCKBR (0.33) CCKBREPHX2
SCHEMBL6330249 0.63 CCKBR (0.43) CCKBRALDH1A1CYP2C19CYP2C9MAPT

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 2/4885FAAH 409/4885CNR2 220/4885

“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.