SCHEMBL7002964

SCHEMBL7002964

Cc1ccc([C@@H]2CCC(=O)C2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
ESR2 Q92731 2/20 0.42
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36
DRD3 P35462 1/20 0.35
GRM7 Q14831 1/20 0.34
MGLL Q99685 2/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 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
SCHEMBL7005994 0.85 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DESR2
SCHEMBL13454021 0.81 MAPT (0.52) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL29496819 0.81 MAPT (0.52) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL7004062 0.79 ESR2 (0.50) PDE4APDE4BPDE4CPDE4DESR2
SCHEMBL735604 0.79 ESR2 (0.50) PDE4APDE4BPDE4CPDE4DESR2
SCHEMBL7004274 0.79 ESR2 (0.50) PDE4APDE4BPDE4CPDE4DESR2
SCHEMBL7005918 0.77 HTR2C (0.53) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL2884802 0.76 HTR2C (0.46) ESR2HTR2AHTR2CHTR2BDRD2
SCHEMBL7005602 0.76 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL3703094 0.76 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 3 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

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.