SCHEMBL26239177

SCHEMBL26239177

CCOC(=O)CCCN1CCc2ccc(-c3cccc(-c4cccc(-c5ccc6c(c5C)CN(CCCC(=O)OCC)CC6)c4Cl)c3Cl)c(C)c2C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 3/20 0.46
PDCD1 Q15116 2/20 0.46
PNMT P11086 13/20 0.42
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
DRD2 P14416 2/20 0.39
S1PR5 Q9H228 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL26233468 0.78 CD274 (0.38) CD274PDCD1PNMT
SCHEMBL26233467 0.78 CD274 (0.38) CD274PDCD1PNMT
SCHEMBL20573444 0.74 S1PR5 (0.52) TMEM97SIGMAR1DRD2S1PR5DRD3
SCHEMBL20573388 0.72 S1PR5 (0.58) TMEM97SIGMAR1DRD2S1PR5DRD3
SCHEMBL26232663 0.72 CD274 (0.34) CD274PDCD1DRD2
SCHEMBL7959566 0.71 PPARG (0.54) SIGMAR1DRD2HTR1A
SCHEMBL26233474 0.71 HRH1 (0.40) CD274PDCD1HRH1
SCHEMBL26233471 0.71 HRH1 (0.40) CD274PDCD1HRH1
SCHEMBL7959540 0.69 PPARG (0.53) SIGMAR1DRD2HTR1A
SCHEMBL7276869 0.68 HDAC3 (0.60) DRD2HTR1AHTR7HRH1DRD3

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-11760764-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2023-09-19 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-11760764-B2 Methods and compositions for targeting PD-L1 CD274, PDCD1LG2, PDCD1 CD274 1/4885PDCD1 3/4885PNMT 4836/4885

“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.