SCHEMBL4465250

SCHEMBL4465250

Cc1cccc(-c2ccc(C34C=CCN(CC3)C4)cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
ALOX5AP P20292 1/20 0.39
IDO1 P14902 1/20 0.33
METAP2 P50579 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HCRTR1 O43613 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPY5R Q15761 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
KMO O15229 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSD11B1 P28845 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL4461401 0.90 ALOX5AP (0.31) KDM1AALOX5AP
SCHEMBL4470038 0.87 HPGDS (0.39) IDO1KDM4EALDH1A1LMNAGAA
SCHEMBL4475112 0.86 CHRNA7 (0.37) KDM1AALOX5AP
SCHEMBL4463819 0.86 HSD11B1 (0.38) NPY5RHSD11B1
SCHEMBL4460475 0.85 FYN (0.41) NPY5RHSD11B1
Bromide SCHEMBL4466117 0.85 HSD11B1 (0.37) NPY5RHSD11B1
SCHEMBL4460157 0.84 KDM1A (0.43) KDM1AIDO1KDM4EALDH1A1HPGD
SCHEMBL4473786 0.82 RAB9A (0.40) IDO1ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL4483243 0.82 CYP2A6 (0.41) ALOX5APKDM4EALDH1A1ACHEHSD17B10
SCHEMBL5216772 0.81 FYN (0.38) KDM1AKDM4EALDH1A1HPGDSMN1; SMN2

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 KDM1A 1225/4885ALOX5AP 644/4885IDO1 44/4885
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 KDM1A 866/4885ALOX5AP 878/4885IDO1 21/4885

“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.