SCHEMBL4466231

SCHEMBL4466231

Fc1cccc(-c2ccc(C34CCCN(CC3)C4)cn2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.41
CYP11B1 P15538 1/20 0.39
HSD11B1 P28845 1/20 0.36
IDO1 P14902 1/20 0.35
MAP4K4 O95819 1/20 0.35
FYN P06241 2/20 0.35
PIM1 P11309 1/20 0.34
CHRNB2 P17787 3/20 0.34
CHRNB4 P30926 3/20 0.34
CHRNA3 P32297 3/20 0.34
CHRNA7 P36544 3/20 0.34
CHRNA4 P43681 3/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
KMO O15229 1/20 0.34
DHFR P00374 1/20 0.34
ACP1 P24666 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 SCHEMBL4480660 0.99 HPGDS (0.41) HPGDSCYP11B1HSD11B1IDO1MAP4K4
SCHEMBL2678219 0.98 HPGDS (0.43) HPGDSCYP11B1HSD11B1IDO1MAP4K4
SCHEMBL2679400 0.95 HPGDS (0.45) HPGDSCYP11B1HSD11B1IDO1MAP4K4
SCHEMBL5156396 0.86 KDM1A (0.43) IDO1
SCHEMBL4463296 0.85 HSD11B1 (0.40) HSD11B1CHRNB2CHRNA7CHRNA4
Bromide SCHEMBL4466442 0.85 KDM1A (0.42) IDO1
Bromide SCHEMBL4471147 0.84 HSD11B1 (0.39) HSD11B1CHRNB2CHRNA7CHRNA4
SCHEMBL2676629 0.82 KDM1A (0.47) IDO1KMO
SCHEMBL2678305 0.82 KDM1A (0.47) HPGDSFYNCHRNB2CHRNA4
SCHEMBL2678702 0.82 NPC1 (0.39) CYP11B1HSD11B1PIM1

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
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 claimed
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 claimed
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
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 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 HPGDS 933/4885CYP11B1 136/4885HSD11B1 1965/4885
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 HPGDS 883/4885CYP11B1 97/4885HSD11B1 1882/4885

“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.