SCHEMBL7005161

SCHEMBL7005161

CCCCOc1cccc([C@@H]2CCC(=O)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.50
CRBN Q96SW2 1/20 0.43
PPARD Q03181 3/20 0.42
PPARA Q07869 3/20 0.42
NPC1 O15118 1/20 0.42
ADRA1A P35348 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL15492773 1.00 PPARG (0.50) PPARGCRBNPPARDPPARANPC1
SCHEMBL7004191 0.85 CRBN (0.55) CRBNNPC1PDE4APDE4BPDE4C
SCHEMBL7005119 0.85 CRBN (0.55) CRBNNPC1PDE4APDE4BPDE4C
SCHEMBL7057736 0.80 ADRA1A (0.56) CRBNADRA1APDE4APDE4BPDE4C
SCHEMBL24461308 0.79 GRIN1 (0.50) NPC1
SCHEMBL7005602 0.78 PDE4A (0.48) PPARGCRBNNPC1PDE4APDE4B
SCHEMBL7003587 0.77 PDE4A (0.47) PPARGCRBNNPC1PDE4APDE4B
SCHEMBL15492780 0.77 PDE4A (0.47) PPARGCRBNNPC1PDE4APDE4B
SCHEMBL17996701 0.77 CRBN (0.52) CRBNNPC1HRH3
SCHEMBL9392309 0.76 HTT (0.47) PPARGPPARDPPARANPC1ADRA1A

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 5 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
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 PPARG 574/4885CRBN 1783/4885PPARD 281/4885
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL PPARG 574/4885CRBN 1783/4885PPARD 281/4885

“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.