SCHEMBL3365113

SCHEMBL3365113

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
KMT2A Q03164 4/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
NPY2R P49146 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL3367137 0.91 PPARA (0.34) LMNAPKMALDH1A1
SCHEMBL6884754 0.83 ELANE (0.30)
SCHEMBL1138411 0.82 CYP2D6 (0.38) KMT2ALMNAALDH1A1MEN1L3MBTL1
SCHEMBL7073820 0.72 ELANE (0.30)
SCHEMBL3367006 0.71 KMT2A (0.48) OPRM1OPRK1OPRL1KMT2ALMNA
SCHEMBL7071716 0.71
SCHEMBL13110352 0.70 MAPT (0.30)
SCHEMBL12738651 0.69
SCHEMBL4805192 0.68 TSHR (0.45) OPRM1OPRK1OPRL1KMT2ARAB9A
Iodide SCHEMBL2136222 0.68 ALDH1A1 (0.35) KMT2ALMNAALDH1A1MEN1GAA

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 OPRM1 120/4885OPRK1 332/4885OPRL1 70/4885
US-20030171461-A1 Process for the synthesis of amine ethers from secondary amino oxides IL4I1, HCCS, CBR1 OPRM1 615/4885OPRK1 1755/4885OPRL1 734/4885

“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.