SCHEMBL4467652

SCHEMBL4467652

C1=CC2(c3ccc(-c4cc5ccccc5s4)nc3)CCN(C1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP19A1 P11511 1/20 0.34
IKBKB O14920 2/20 0.34
CHUK O15111 2/20 0.34
IKBKG Q9Y6K9 2/20 0.34
DCK P27707 2/20 0.34
KCNH2 Q12809 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
MAPKAPK2 P49137 1/20 0.32
FAAH O00519 2/20 0.32
CCNC P24863 2/20 0.32
CDK8 P49336 2/20 0.32
CYP3A4 P08684 1/20 0.32
GSK3A P49840 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
Bromide SCHEMBL4474311 0.99 KDM1A (0.43) KDM1ACYP11B1CYP11B2CYP19A1IKBKB
SCHEMBL2677931 0.83 KDM1A (0.49) KDM1ACYP11B1CYP11B2CYP19A1IKBKB
SCHEMBL5219651 0.80 PTPN11 (0.32)
SCHEMBL4473736 0.80 KDM1A (0.46) KDM1ACYP11B1CYP11B2CYP19A1IKBKB
Bromide SCHEMBL4464997 0.79 PTPN11 (0.31)
SCHEMBL5217300 0.79 HPGDS (0.37) CYP11B1CYP11B2
SCHEMBL2678642 0.79 KDM1A (0.47) KDM1ACYP11B1CYP11B2CYP19A1IKBKB
Bromide SCHEMBL4469358 0.79 KDM1A (0.45) KDM1ACYP11B1CYP11B2CYP19A1IKBKB
SCHEMBL4463632 0.79 CYP11B1 (0.41) CYP11B1CYP19A1CHRM2CHRM4CHRM5
Bromide SCHEMBL4460978 0.78 KDM1A (0.38) KDM1ACYP11B1CYP11B2

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 1225/4885CYP11B1 136/4885CYP11B2 119/4885

“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.