SCHEMBL4460157

SCHEMBL4460157

FC(F)(F)c1cccc(-c2ccc(C34C=CCN(CC3)C4)cn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.43
MAOB P27338 4/20 0.43
CNR2 P34972 1/20 0.38
MAOA P21397 2/20 0.37
IDO1 P14902 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPY5R Q15761 1/20 0.36
PTPN11 Q06124 2/20 0.35
KMO O15229 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GABRA1 P14867 1/20 0.35
HPGD P15428 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35

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
SCHEMBL4470038 0.86 HPGDS (0.39) IDO1MAPTNPY5RKDM4EALDH1A1
SCHEMBL4465250 0.84 KDM1A (0.40) KDM1AIDO1SMN1; SMN2NPY5RKMO
SCHEMBL2677987 0.83 KDM1A (0.49) KDM1AMAOBCNR2MAOAIDO1
SCHEMBL4463819 0.83 HSD11B1 (0.38) NPY5R
Bromide SCHEMBL4466117 0.82 HSD11B1 (0.37) NPY5R
SCHEMBL4460475 0.80 FYN (0.41) NPY5R
SCHEMBL4473786 0.80 RAB9A (0.40) IDO1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4483243 0.79 CYP2A6 (0.41) KDM4EALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL2676629 0.79 KDM1A (0.47) KDM1AMAOBCNR2MAOAIDO1
SCHEMBL4461401 0.78 ALOX5AP (0.31) KDM1A

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 KDM1A 1225/4885MAOB 24/4885CNR2 31/4885

“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.