SCHEMBL4463296

SCHEMBL4463296

c1ccc(-c2ccc(C34CCCN(CC3)C4)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
NPY5R Q15761 1/20 0.36
LDHA P00338 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNA4 P43681 2/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
Bromide SCHEMBL4471147 0.99 HSD11B1 (0.39) HSD11B1NPY5RLDHAEGLN1CHRNB2
SCHEMBL2678244 0.97 HSD11B1 (0.41) HSD11B1NPY5RLDHAEGLN1CHRNB2
SCHEMBL2678746 0.94 HSD11B1 (0.40) HSD11B1LDHACHRNB2CHRNA7CHRNA4
SCHEMBL2677751 0.94 HSD11B1 (0.42) HSD11B1NPY5RLDHAEGLN1CHRNB2
SCHEMBL2679166 0.92 HSD11B1 (0.41) HSD11B1NPY5RLDHAEGLN1CHRNB2
SCHEMBL5216499 0.88 ALOX5AP (0.38) HCRTR1HCRTR2
SCHEMBL5221717 0.87 CYP2A6 (0.47) HCRTR1HCRTR2
Bromide SCHEMBL4477940 0.86 ALOX5AP (0.37) HCRTR1HCRTR2
SCHEMBL2678742 0.86 CYP11B1 (0.42) HSD11B1
Bromide SCHEMBL4468359 0.86 CYP2A6 (0.46) HCRTR1HCRTR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465893-B1 DERIVATIVES OF 5-(PYRIDIN-3-YL)-1-AZABICYCLO (3.2.1) OCTANE, THE PREPARATION THEREOF AND THE APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2007-02-28 EP claimed
US-7585974-B2 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2009-09-08 US disclosed
US-20070185137-A1 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2007-08-09 US disclosed
US-7223750-B2 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, the preparation thereof and the application of same in therapeutics SANOFI-AVENTIS (FR) 2007-05-29 US disclosed
US-20050020568-A1 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1] octane, the preparation thereof and the application of same in therapeutics SANOFI (FR) 2005-01-27 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 (2 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-20070185137-A1 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application PAICS, CYC1, AADAC HSD11B1 1965/4885NPY5R 795/4885LDHA 3650/4885
US-20050020568-A1 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1] octane, the preparation thereof and the application of same in therapeutics PAICS, NAT1, TPMT HSD11B1 1882/4885NPY5R 569/4885LDHA 3024/4885

“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.