SCHEMBL3367137

SCHEMBL3367137

CCC1(CC)C(=O)N(C(C)(C)C)CC(C)(C)N1OC(C(=O)O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.34
PPARG P37231 8/20 0.34
CHRM1 P11229 2/20 0.32
PKM P14618 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3365113 0.91 OPRM1 (0.34) PKMLMNAALDH1A1
SCHEMBL6884754 0.85 ELANE (0.30)
SCHEMBL1138411 0.83 CYP2D6 (0.38) CHRM1LMNAALDH1A1
SCHEMBL7073820 0.74 ELANE (0.30)
SCHEMBL7071716 0.73
SCHEMBL13110352 0.73 MAPT (0.30)
SCHEMBL12738651 0.71
Iodide SCHEMBL2136222 0.70 ALDH1A1 (0.35) LMNAALDH1A1
Hydrochloric Acid SCHEMBL2137332 0.70
SCHEMBL7071196 0.70 ELANE (0.32) CHRM1ALDH1A1

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
EP-1284966-B1 PROCESS FOR THE SYNTHESIS OF AMINE ETHERS FROM SECONDARY AMINO OXIDES BASF SE (DE) 2010-03-17 EP disclosed
US-7402675-B2 Process for the synthesis of amine ethers from secondary amino oxides CIBA SPECIALTY CHEMICALS CORP. (US) 2008-07-22 US disclosed
US-6900328-B2 Process for the synthesis of amine ethers from secondary amino oxides CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-05-31 US disclosed
US-20050043552-A1 Process for the synthesis of amine ethers from secondary amino oxides HAFNER ANDREAS (CH) 2005-02-24 US disclosed
US-20030171461-A1 Process for the synthesis of amine ethers from secondary amino oxides CIBA SPECIALTY CHEMICALS CORP. 2003-09-11 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-20050043552-A1 Process for the synthesis of amine ethers from secondary amino oxides CYC1, AOC2, CBR1 PPARA 2515/4885PPARG 2562/4885CHRM1 302/4885
US-20030171461-A1 Process for the synthesis of amine ethers from secondary amino oxides IL4I1, HCCS, CBR1 PPARA 4558/4885PPARG 4575/4885CHRM1 949/4885

“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.