SCHEMBL1711255

SCHEMBL1711255

O=C(N1C[C@@H]2CN[C@@H](C2)C1)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 19/20 0.58
CHRNB4 P30926 19/20 0.58
CHRNA3 P32297 19/20 0.58
CHRNA7 P36544 19/20 0.58
CHRNA4 P43681 19/20 0.58

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
SCHEMBL1711243 1.00 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1711527 1.00 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3226632 0.85 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1711390 0.83 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1711323 0.83 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14804553 0.83 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2542146 0.79 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL31630839 0.78 CHRNB2 (0.66) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3333418 0.78 CHRNB2 (0.66) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3363292 0.78 CHRNB2 (0.66) 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 7 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
EP-2344496-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF Targacept Inc. (US) 2011-07-20 EP claimed
WO-2010028033-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF TARGACEPT, INC. (US) 2010-03-11 WO 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
EP-2344496-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF Targacept Inc. (US) 2011-07-20 EP disclosed
WO-2010028033-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF TARGACEPT, INC. (US) 2010-03-11 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-20110263629-A1 AMIDES OF DIAZABICYCLOOCTANES AND USES THEREOF CHRNA2, CHRNA10, CHRNA5 CHRNB2 7/4885CHRNB4 11/4885CHRNA3 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.