SCHEMBL24923554

SCHEMBL24923554

CN1C[C@@H]2CC(c3ccccc3)=C[C@@H]2C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.41
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
HRH3 Q9Y5N1 2/20 0.41
HTR3A P46098 1/20 0.41
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
CHRNB3 Q05901 2/20 0.38
CHRNA6 Q15825 2/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 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
SCHEMBL15596226 1.00 CHRNA7 (0.41) CHRNA7CHRNB4CHRNA3HRH3HTR3A
SCHEMBL16941409 1.00 CHRNA7 (0.41) CHRNA7CHRNB4CHRNA3HRH3HTR3A
SCHEMBL5939186 0.84 CHRNA7 (0.57) CHRNA7CHRNB4CHRNA3HTR3ACHRNB2
SCHEMBL5939192 0.84 CHRNA7 (0.57) CHRNA7CHRNB4CHRNA3HTR3ACHRNB2
SCHEMBL5939177 0.84 CHRNA7 (0.57) CHRNA7CHRNB4CHRNA3HTR3ACHRNB2
SCHEMBL15596223 0.83 CHRNB2 (0.41) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL23605152 0.83 HRH3 (0.44) CHRNA7CHRNB4CHRNA3HRH3CHRNB2
SCHEMBL22720980 0.82 SLC6A3 (0.45) HRH3HTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL23605127 0.81 PTGS2 (0.33) CHRNA7CHRNB4CHRNA3HRH3CHRNB2
SCHEMBL20696882 0.81 S1PR1 (0.35) CHRNA7CHRNB4CHRNA3HRH3CHRNB2

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-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

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 CHRNA7 4721/4885CHRNB4 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.