SCHEMBL7005994

SCHEMBL7005994

Cc1ccc([C@@H]2CCC(=O)C2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
ESR2 Q92731 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.38
RIPK1 Q13546 1/20 0.36
SLC6A3 Q01959 4/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
ITGA5 P08648 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36

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
SCHEMBL7002964 0.85 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DESR2
SCHEMBL5482494 0.83 MAPT (0.47) SIRT2RIPK1SLC6A3SLC6A2SLC6A4
SCHEMBL15247784 0.79 SLC6A3 (0.43) ESR2SIRT2RIPK1SLC6A3SLC6A2
SCHEMBL16986589 0.77 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DESR2
SCHEMBL29186871 0.77 ESR2 (0.49) PDE4APDE4BPDE4CPDE4DESR2
SCHEMBL7004274 0.75 ESR2 (0.50) PDE4APDE4BPDE4CPDE4DESR2
SCHEMBL12806513 0.75 SLC6A3 (0.41) RIPK1SLC6A3SLC6A2SLC6A4CHRNA1
SCHEMBL7004062 0.75 ESR2 (0.50) PDE4APDE4BPDE4CPDE4DESR2
SCHEMBL735604 0.75 ESR2 (0.50) PDE4APDE4BPDE4CPDE4DESR2
SCHEMBL717834 0.75 ESR2 (0.50) PDE4APDE4BPDE4CPDE4DESR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133140-B2 Cycloalkylamne derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-15 US disclosed
US-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-22 US disclosed
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES MARUMOTO SHINJI (JP) 2012-05-17 US disclosed
EP-2341044-A1 CYCLOALKYLAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2011-07-06 EP disclosed

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

For each of this compound's patents that has machine-readable text (2 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-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL PDE4A 1818/4885PDE4B 1913/4885PDE4C 3068/4885
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL PDE4A 1818/4885PDE4B 1913/4885PDE4C 3068/4885

“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.