SCHEMBL2546533

SCHEMBL2546533

CCC(=O)N1C[C@@H]2CNC[C@H]1C2

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 15/20 0.64
CHRNA4 P43681 15/20 0.64
CHRNA3 P32297 14/20 0.64
CHRNB4 P30926 12/20 0.64
CHRNA7 P36544 12/20 0.64
CHRNB3 Q05901 2/20 0.42
CHRNA6 Q15825 2/20 0.42

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
SCHEMBL1711526 1.00 CHRNB2 (0.64) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711487 0.88 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711593 0.88 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL3235805 0.86 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711360 0.80 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711254 0.80 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711223 0.80 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711644 0.80 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711469 0.80 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1711368 0.79 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263629-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF TARGACEPT, INC. (US) 2011-10-27 US claimed
US-20110263629-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF TARGACEPT, INC. (US) 2011-10-27 US disclosed
US-20110263629-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF TARGACEPT, INC. (US) 2011-10-27 US disclosed
US-20110263629-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF TARGACEPT, INC. (US) 2011-10-27 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-20110263629-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF CHRNA2, CHRNA10, CHRNA5 CHRNB2 7/4885CHRNA4 5/4885CHRNA3 4/4885

“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.