SCHEMBL4460475

SCHEMBL4460475

CC(=O)c1cccc(-c2ccc(C34C=CCN(CC3)C4)cn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 15/20 0.41
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
MAP4K4 O95819 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
FGFR1 P11362 1/20 0.39
PRKACA P17612 1/20 0.39
KDR P35968 1/20 0.39
MAP2K2 P36507 1/20 0.39
MAPK8 P45983 1/20 0.39
CDK8 P49336 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
RPS6KA3 P51812 1/20 0.39
LIMK1 P53667 1/20 0.39
MAP2K1 Q02750 1/20 0.39

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 0.85 KDM1A (0.40) HSD11B1NPY5R
SCHEMBL2679033 0.84 FYN (0.46) FYNAURKADAPK3JAK2MAP4K4
SCHEMBL4470038 0.83 HPGDS (0.39) FYNMAP4K4HSD11B1NPY5R
SCHEMBL4463819 0.82 HSD11B1 (0.38) HSD11B1NPY5R
Bromide SCHEMBL4466117 0.81 HSD11B1 (0.37) HSD11B1NPY5R
SCHEMBL4473786 0.81 RAB9A (0.40) NPY5R
SCHEMBL4483243 0.81 CYP2A6 (0.41) FGFR1GSK3BCLK4
SCHEMBL4460157 0.80 KDM1A (0.43) NPY5R
SCHEMBL2678809 0.80 FYN (0.45) FYNAURKADAPK3JAK2MAP4K4
SCHEMBL4461401 0.79 ALOX5AP (0.31)

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 FYN 2086/4885AURKA 365/4885DAPK3 1514/4885

“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.