SCHEMBL1145822

SCHEMBL1145822

Cc1ccc(-c2cnc(OC3CCN4CCCC3C4)nc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.38
GRM5 P41594 2/20 0.34
FEN1 P39748 13/20 0.34
ALOX5AP P20292 12/20 0.34
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 1/20 0.34
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL1145826 1.00 CHRNA7 (0.38) CHRNA7GRM5FEN1ALOX5APHCRTR1
SCHEMBL3839437 0.88 CHRNA7 (0.44) CHRNA7GRM5TLR7
SCHEMBL3839425 0.88 CHRNA7 (0.44) CHRNA7GRM5TLR7
SCHEMBL1145981 0.88 CHRNA7 (0.39) CHRNA7FEN1ALOX5APHCRTR1HCRTR2
SCHEMBL1145980 0.88 CHRNA7 (0.39) CHRNA7FEN1ALOX5APHCRTR1HCRTR2
SCHEMBL999949 0.87 CHRNA7 (0.50) CHRNA7TLR7
SCHEMBL999950 0.87 CHRNA7 (0.50) CHRNA7TLR7
SCHEMBL1146472 0.83 CHRNA7 (0.47) CHRNA7HCRTR1HCRTR2
SCHEMBL1146473 0.83 CHRNA7 (0.47) CHRNA7HCRTR1HCRTR2
SCHEMBL1146104 0.82 CHRNA7 (0.53) CHRNA7GRM5HCRTR1HCRTR2TLR7

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 8 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

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 119/4885GRM5 2204/4885FEN1 1958/4885
US-20110034475-A1 1-AZA-BICYCLO[3.3.1]NONANES CBR3, CBR1, HRH4 CHRNA7 208/4885GRM5 2003/4885FEN1 1825/4885
US-20150087650-A1 1-AZA-BICYCLO[3.3.1]NONANES CBR3, CBR1, ADCY3 CHRNA7 228/4885GRM5 1463/4885FEN1 1918/4885

“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.