SCHEMBL4470038

SCHEMBL4470038

Fc1cccc(-c2ccc(C34C=CCN(CC3)C4)cn2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.39
CYP11B1 P15538 1/20 0.37
MAP4K4 O95819 1/20 0.36
PIM1 P11309 1/20 0.35
NPY5R Q15761 1/20 0.34
FYN P06241 2/20 0.33
IDO1 P14902 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RCE1 Q9Y256 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.33
WNT3A P56704 3/20 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
SCHEMBL4465250 0.87 KDM1A (0.40) NPY5RIDO1KDM4EALDH1A1LMNA
SCHEMBL4460157 0.86 KDM1A (0.43) NPY5RIDO1KDM4EALDH1A1MAPT
SCHEMBL4463819 0.86 HSD11B1 (0.38) HPGDSCYP11B1NPY5RHSD11B1CHRNB2
Bromide SCHEMBL4466117 0.85 HSD11B1 (0.37) HPGDSCYP11B1NPY5RHSD11B1CHRNB2
SCHEMBL4460475 0.83 FYN (0.41) MAP4K4NPY5RFYNHSD11B1
SCHEMBL2679400 0.82 HPGDS (0.45) HPGDSCYP11B1MAP4K4PIM1FYN
SCHEMBL4473786 0.82 RAB9A (0.40) NPY5RIDO1ALDH1A1LMNAMAPT
SCHEMBL4483243 0.82 CYP2A6 (0.41) CYP11B1PIM1KDM4EALDH1A1
SCHEMBL4461401 0.81 ALOX5AP (0.31)
SCHEMBL4465415 0.81 NPC1 (0.36) CYP11B1NPY5RIDO1L3MBTL1HSD11B1

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 136/4885MAP4K4 3985/4885
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 97/4885MAP4K4 4658/4885

“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.