SCHEMBL1146038

SCHEMBL1146038

c1cc2cc(-c3cnc(O[C@@H]4CCN5CCC[C@@H]4C5)nc3)ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.52
CHRNB2 P17787 8/20 0.45
CHRNA4 P43681 8/20 0.45
HTR3A P46098 1/20 0.45
CHRNB4 P30926 7/20 0.44
CHRNA3 P32297 7/20 0.44
KCNH2 Q12809 3/20 0.43
ABL1 P00519 1/20 0.38
NPC1 O15118 1/20 0.38
LRRK2 Q5S007 2/20 0.37
CYP17A1 P05093 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MAP3K11 Q16584 1/20 0.37
CHRNA10 Q9GZZ6 1/20 0.37
CHRNA9 Q9UGM1 1/20 0.37

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
SCHEMBL1145975 1.00 CHRNA7 (0.52) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL8266486 1.00 CHRNA7 (0.52) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL1145298 1.00 CHRNA7 (0.52) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL1145977 1.00 CHRNA7 (0.52) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL1908548 1.00 CHRNA7 (0.52) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL412336 1.00 CHRNA7 (0.52) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL2576560 0.91 CHRNA7 (0.44) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL416173 0.90 CHRNA7 (0.57) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL1908561 0.90 CHRNA7 (0.57) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL1146092 0.90 CHRNA7 (0.57) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4

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 10 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-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 119/4885CHRNB2 710/4885CHRNA4 46/4885
US-20110034475-A1 1-AZA-BICYCLO[3.3.1]NONANES CBR3, CBR1, HRH4 CHRNA7 208/4885CHRNB2 845/4885CHRNA4 55/4885
US-20150087650-A1 1-AZA-BICYCLO[3.3.1]NONANES CBR3, CBR1, ADCY3 CHRNA7 228/4885CHRNB2 992/4885CHRNA4 70/4885

“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.