SCHEMBL22010488

SCHEMBL22010488

N#Cc1cccc(Oc2ccc(C3=C[C@H]4CNC[C@H]4C3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
GRIA2 P42262 1/20 0.38
SLK Q9H2G2 1/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CHEK2 O96017 1/20 0.36
CHRNB2 P17787 4/20 0.36
CHRNB4 P30926 4/20 0.36
CHRNA3 P32297 4/20 0.36
CHRNA7 P36544 4/20 0.36
CHRNA4 P43681 4/20 0.36
CHRNB3 Q05901 1/20 0.36

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
SCHEMBL22010770 0.88 HRH3 (0.45) HRH2HRH1HRH3CHRNB2CHRNB4
SCHEMBL22010508 0.83 CHRNB2 (0.45) TNK2SLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL22011040 0.82 CHRNB2 (0.51) TNK2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL22010766 0.79 AR (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22010897 0.75 CHRNB2 (0.43) TNK2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL22010484 0.73 MEN1 (0.40) TNK2HRH3CHRNB2CHRNB4CHRNA3
SCHEMBL22010486 0.73 BTK (0.42)
SCHEMBL10923033 0.72 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DGRIA2
SCHEMBL5939134 0.70 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5939128 0.70 CHRNB2 (0.63) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2023-02-02 US disclosed
WO-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 WO 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-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF GMPS, GNE, GANC TNK2 2348/4885PDE4A 469/4885PDE4B 410/4885

“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.