SCHEMBL22010508

SCHEMBL22010508

C1=C(c2ccc(Oc3ccccc3)cc2)C[C@@H]2CNC[C@H]12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.45
CHRNB4 P30926 5/20 0.45
CHRNA3 P32297 5/20 0.45
CHRNA7 P36544 5/20 0.45
CHRNA4 P43681 5/20 0.45
CHRNB3 Q05901 1/20 0.45
CHRNA6 Q15825 1/20 0.45
BTK Q06187 3/20 0.40
P2RY14 Q15391 1/20 0.40
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TNK2 Q07912 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
NPC1 O15118 2/20 0.37
MMP1 P03956 3/20 0.36
MMP2 P08253 3/20 0.36
MMP3 P08254 3/20 0.36
MMP9 P14780 3/20 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
SCHEMBL16941423 0.86 P2RY14 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL15596271 0.86 P2RY14 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14704704 0.86 P2RY14 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL15596503 0.86 P2RY14 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22010897 0.86 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22011040 0.86 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22010484 0.83 MEN1 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22010770 0.83 HRH3 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22010488 0.83 TNK2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22728553 0.78 SLC6A3 (0.47) 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 CHRNB2 4851/4885CHRNB4 4842/4885CHRNA3 4833/4885

“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.