SCHEMBL7005602

SCHEMBL7005602

CCCCOc1ccc([C@@H]2CCC(=O)C2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.48
PDE4B Q07343 5/20 0.48
PDE4C Q08493 5/20 0.48
PDE4D Q08499 5/20 0.48
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPARG P37231 1/20 0.41
CRBN Q96SW2 1/20 0.40
ESR1 P03372 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.38
MCHR1 Q99705 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
GAA P10253 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
SCHEMBL15492780 0.86 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPPARG
SCHEMBL7003587 0.86 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPPARG
SCHEMBL14045898 0.82 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7004191 0.81 CRBN (0.55) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7005119 0.81 CRBN (0.55) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL2150685 0.80 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL15850421 0.80 KDM4E (0.45) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL13664789 0.79 THRA (0.46) PDE4APDE4BPDE4CPDE4DPPARG
SCHEMBL15492773 0.78 PPARG (0.50) PDE4APDE4BPDE4CPDE4DPPARG
SCHEMBL7005161 0.78 PPARG (0.50) PDE4APDE4BPDE4CPDE4DPPARG

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.