SCHEMBL1145554

SCHEMBL1145554

Fc1ccc(-c2ccc(O[C@H]3CC[N@@]4CCC[C@H]3C4)nn2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.52
CHRNB2 P17787 10/20 0.34
CHRNB4 P30926 10/20 0.34
CHRNA3 P32297 10/20 0.34
CHRNA4 P43681 10/20 0.34
IL1B P01584 1/20 0.33
NLRP3 Q96P20 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
GRM2 Q14416 1/20 0.31

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
SCHEMBL1145550 1.00 CHRNA7 (0.52) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1145955 0.91 CHRNA7 (0.49) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1145957 0.91 CHRNA7 (0.49) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1145521 0.91 CHRNA7 (0.49) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1145524 0.91 CHRNA7 (0.49) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1146195 0.87 CHRNA7 (0.48) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1146192 0.87 CHRNA7 (0.48) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1146194 0.86 CHRNA7 (0.48) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1146191 0.86 CHRNA7 (0.48) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1146424 0.85 CHRNA7 (0.52) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4

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-9475811-B2 1-aza-bicyclo[3.3.1]nonanes NOVARTIS AG (CH) 2016-10-25 US disclosed
US-20150087650-A1 1-AZA-BICYCLO[3.3.1]NONANES NOVARTIS AG (CH) 2015-03-26 US disclosed
US-8933090-B2 1-aza-bicyclo[3.3.1]nonanes NOVARTIS AG (CH) 2015-01-13 US disclosed
EP-2336129-A1 1-aza-bicyclo[3.3.1]nonanes Novartis AG (CH) 2011-06-22 EP disclosed
EP-1761533-B1 1-AZA-BICYCLO[3.3.1]NONANES NOVARTIS AG (CH) 2011-04-20 EP disclosed
US-20110034475-A1 1-AZA-BICYCLO[3.3.1]NONANES NOVARTIS AG 2011-02-10 US disclosed
US-20070249657-A1 1-Aza-Bicyclo3.3.1Nonanes NOVARTIS AG (CH) 2007-10-25 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 (3 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-20070249657-A1 1-Aza-Bicyclo3.3.1Nonanes CBR3, CBR1, HCAR3 CHRNA7 119/4885CHRNB2 710/4885CHRNB4 175/4885
US-20110034475-A1 1-AZA-BICYCLO[3.3.1]NONANES CBR3, CBR1, HRH4 CHRNA7 208/4885CHRNB2 845/4885CHRNB4 195/4885
US-20150087650-A1 1-AZA-BICYCLO[3.3.1]NONANES CBR3, CBR1, ADCY3 CHRNA7 228/4885CHRNB2 992/4885CHRNB4 266/4885

“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.