SCHEMBL1146544

SCHEMBL1146544

Cc1ccc(-c2ccc(O[C@H]3CC[N@@]4CCC[C@H]3C4)nn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.49
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRNB2 P17787 4/20 0.35
CHRNB4 P30926 4/20 0.35
CHRNA3 P32297 4/20 0.35
CHRNA4 P43681 4/20 0.35
IL1B P01584 1/20 0.34
NLRP3 Q96P20 1/20 0.34
NTMT1 Q9BV86 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL1146543 1.00 CHRNA7 (0.49) CHRNA7CYP1A2CYP2D6CHRNB2CHRNB4
SCHEMBL1145889 0.90 CHRNA7 (0.48) CHRNA7CYP1A2CYP2D6CHRNB2CHRNB4
SCHEMBL1145891 0.90 CHRNA7 (0.48) CHRNA7CYP1A2CYP2D6CHRNB2CHRNB4
SCHEMBL1145597 0.89 CHRNA7 (0.47) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1145595 0.89 CHRNA7 (0.47) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1146295 0.88 CHRNA7 (0.48) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1146293 0.88 CHRNA7 (0.48) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1146427 0.88 CHRNA7 (0.52) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1146424 0.88 CHRNA7 (0.52) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
Methane SCHEMBL17004325 0.87 CHRNA7 (0.47) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761533-B1 1-AZA-BICYCLO[3.3.1]NONANES NOVARTIS AG (CH) 2011-04-20 EP claimed
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-1761533-B8 1-AZA-BICYCLO[3.3.1]NONANES NOVARTIS AG (CH) 2011-10-12 EP 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
EP-1761533-A1 1-AZA-BICYCLO[3.3.1]NONANES Novartis AG (CH) 2007-03-14 EP disclosed
WO-2005123732-A1 1-AZA-BICYCLO[3.3.1]NONANES NOVARTIS AG (CH) 2005-12-29 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 (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 119/4885CYP1A2 201/4885CYP2D6 139/4885
US-20110034475-A1 1-AZA-BICYCLO[3.3.1]NONANES CBR3, CBR1, HRH4 CHRNA7 208/4885CYP1A2 105/4885CYP2D6 122/4885
US-20150087650-A1 1-AZA-BICYCLO[3.3.1]NONANES CBR3, CBR1, ADCY3 CHRNA7 228/4885CYP1A2 169/4885CYP2D6 148/4885

“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.