SCHEMBL4473740

SCHEMBL4473740

c1ccc2c(-c3ccc(C45CCCN(CC4)C5)cn3)csc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
C5AR1 P21730 1/20 0.36
APP P05067 1/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ACACB O00763 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
PTGER2 P43116 1/20 0.33

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
SCHEMBL5220054 0.80 HCRTR1 (0.31)
SCHEMBL5215870 0.79 KDM1A (0.44) KDM1ACYP11B1CYP11B2CHRM2CHRM4
SCHEMBL5222614 0.79 NPC1 (0.38) CYP11B1CYP11B2
Bromide SCHEMBL4469354 0.79 HCRTR1 (0.31)
Bromide SCHEMBL4474316 0.78 KDM1A (0.43) KDM1ACYP11B1CYP11B2CHRM2CHRM4
SCHEMBL4463296 0.78 HSD11B1 (0.40) CHRNA7
Bromide SCHEMBL4465616 0.78 NPC1 (0.37) CYP11B1CYP11B2
SCHEMBL2678934 0.77 CYP11B1 (0.41) CYP11B1CYP11B2CCNCCDK8HPGD
Bromide SCHEMBL4471147 0.77 HSD11B1 (0.39) CHRNA7
SCHEMBL4473736 0.76 KDM1A (0.46) KDM1ACYP11B1CYP11B2CHRM2CHRM4

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.