SCHEMBL7003587

SCHEMBL7003587

CCCCOc1ccc([C@@H]2CCC(=O)C2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.47
PDE4B Q07343 4/20 0.47
PDE4C Q08493 4/20 0.47
PDE4D Q08499 4/20 0.47
KDM1A O60341 2/20 0.41
PPARG P37231 1/20 0.40
CRBN Q96SW2 2/20 0.39
SCN9A Q15858 1/20 0.38
NPC1 O15118 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37

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
SCHEMBL15492780 1.00 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL7005602 0.86 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPPARG
SCHEMBL14045898 0.81 PDE4A (0.71) PDE4APDE4BPDE4CPDE4D
SCHEMBL13664789 0.80 THRA (0.46) PDE4APDE4BPDE4CPDE4DPPARG
SCHEMBL7004191 0.80 CRBN (0.55) PDE4APDE4BPDE4CPDE4DCRBN
SCHEMBL7005119 0.80 CRBN (0.55) PDE4APDE4BPDE4CPDE4DCRBN
SCHEMBL2150745 0.79 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL7005161 0.77 PPARG (0.50) PDE4APDE4BPDE4CPDE4DPPARG
SCHEMBL15492773 0.77 PPARG (0.50) PDE4APDE4BPDE4CPDE4DPPARG
SCHEMBL11066243 0.75 KDM1A (0.44) PDE4APDE4BPDE4CPDE4DKDM1A

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
WO-2010021351-A1 CYCLOALKYLAMINE DERIVATIVE 第一三共株式会社 (JP) 2010-02-25 WO 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.