SCHEMBL3366770

SCHEMBL3366770

CC(=O)NC1CC(C)(C)N(OC(COC(C)=O)c2ccccc2)C(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.42
TACR3 P29371 1/20 0.42
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
TSHR P16473 7/20 0.37
KMT2A Q03164 5/20 0.37
ALOX15 P16050 1/20 0.36
CYP2D6 P10635 1/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 3/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL3366978 0.86 KMT2A (0.40) HTTTSHRKMT2ACYP2D6CYP3A4
SCHEMBL4886714 0.81 PABPC1 (0.41) POLBTSHRKMT2ALMNASMN1; SMN2
SCHEMBL3363020 0.81 POLB (0.41) TACR1TACR3HTTPOLBTSHR
SCHEMBL3369033 0.80 KMT2A (0.45) POLBTSHRKMT2ACYP2D6CYP3A4
SCHEMBL7517238 0.78 KMT2A (0.40) HTTTSHRKMT2AMEN1ALDH1A1
SCHEMBL5346731 0.75 TACR1 (0.43) TACR1TACR3HTTPOLBTSHR
SCHEMBL13846318 0.74 CYP2D6 (0.35) HTTTSHRKMT2ACYP2D6CYP3A4
SCHEMBL25452991 0.74 KMT2A (0.46) POLBTSHRKMT2ACYP2D6CYP3A4
SCHEMBL7521073 0.74 KMT2A (0.43) HTTPOLBKMT2ASMN1; SMN2
SCHEMBL12274081 0.73 TSHR (0.47) TSHRKMT2ACYP2D6LMNAALDH1A1

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 7 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
EP-1284966-A2 PROCESS FOR THE SYNTHESIS OF AMINE ETHERS FROM SECONDARY AMINO OXIDES Ciba SC Holding AG (CH) 2003-02-26 EP disclosed
WO-2001092228-A2 PROCESS FOR THE SYNTHESIS OF AMINE ETHERS FROM SECONDARY AMINO OXIDES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-12-06 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-20050043552-A1 Process for the synthesis of amine ethers from secondary amino oxides CYC1, AOC2, CBR1 TACR1 871/4885TACR3 2044/4885HTT 2391/4885
US-20030171461-A1 Process for the synthesis of amine ethers from secondary amino oxides IL4I1, HCCS, CBR1 TACR1 3271/4885TACR3 4003/4885HTT 3571/4885

“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.