SCHEMBL20969052

SCHEMBL20969052

CCCCCCC(C)(CCCCC)N1CCn2ccnc2C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.33
TLR8 Q9NR97 2/20 0.31
P2RX7 Q99572 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
ADRA2A P08913 1/20 0.30
CHRM3 P20309 1/20 0.30
MAOA P21397 1/20 0.30
DRD1 P21728 1/20 0.30
ACHE P22303 1/20 0.30
SLC6A2 P23975 1/20 0.30
PDE4A P27815 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
DRD3 P35462 1/20 0.30
HTR2B P41595 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL20968900 0.78 PDPK1 (0.34)
SCHEMBL20968873 0.78 P2RX7 (0.34) P2RX7ADRA1A
SCHEMBL20887275 0.72 TSHR (0.38)
SCHEMBL22024185 0.72 TSHR (0.38)
SCHEMBL23073866 0.69 P2RX7 (0.32) P2RX7
SCHEMBL25043600 0.67 LMNA (0.35) P2RX7ACHEDRD3
SCHEMBL23219821 0.67 PIK3CD (0.36)
SCHEMBL22068564 0.66 GNAO1 (0.38)
SCHEMBL21214015 0.66 GNAO1 (0.38)
SCHEMBL21677540 0.66 GNAO1 (0.38)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759750-B2 Beta lactams as modulators of glutamate uptake and methods for use thereof Temple University—Of the Commonwealth System of Higher Education (US) 2020-09-01 US disclosed
US-20190127323-A1 Novel Beta Lactams as Modulators of Glutamate Uptake and Methods for Use Thereof Temple University--of the Commonwealth System of Higher Education 2019-05-02 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 (2 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-10759750-B2 Beta lactams as modulators of glutamate uptake and methods for use thereof SLC1A2, SLC1A1, SLC7A11 CHRM1 1475/4885TLR8 956/4885P2RX7 1937/4885
US-20190127323-A1 Novel Beta Lactams as Modulators of Glutamate Uptake and Methods for Use Thereof SLC1A2, SLC1A1, SLC7A11 CHRM1 1184/4885TLR8 1576/4885P2RX7 2038/4885

“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.