SCHEMBL4483243

SCHEMBL4483243

C1=CC2(c3ccc(-c4cccnc4)nc3)CCN(C1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.41
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 4/20 0.38
ACHE P22303 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
ALOX5AP P20292 2/20 0.37
CYP11B2 P19099 2/20 0.36
CYP11B1 P15538 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PTK2 Q05397 1/20 0.35
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 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
SCHEMBL4463819 0.88 HSD11B1 (0.38) CYP11B2CYP11B1
SCHEMBL4463770 0.87 ALOX5AP (0.34) ALOX5APCYP11B2CYP11B1GSK3B
Bromide SCHEMBL4466117 0.87 HSD11B1 (0.37) CYP11B2CYP11B1
SCHEMBL4465250 0.82 KDM1A (0.40) ALDH1A1ACHEKDM4EALOX5APHSD17B10
SCHEMBL4470038 0.82 HPGDS (0.39) ALDH1A1KDM4ECYP11B1PIM1
SCHEMBL2678648 0.81 CYP2A6 (0.48) CYP2A6CYP3A4ALDH1A1ACHEKDM4E
SCHEMBL4475112 0.81 CHRNA7 (0.37) ALOX5APPIM1
SCHEMBL4470449 0.81 SLC6A2 (0.38) CYP3A4ALDH1A1KDM4ECYP2C9CYP2D6
SCHEMBL4460475 0.81 FYN (0.41) GSK3BCLK4FGFR1
SCHEMBL4461401 0.80 ALOX5AP (0.31) ALOX5AP

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 CYP2A6 224/4885CYP3A4 889/4885ALDH1A1 323/4885

“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.