SCHEMBL3363020

SCHEMBL3363020

COC(=O)C(ON1C(C)(C)CC(NC(C)=O)CC1(C)C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
TACR1 P25103 1/20 0.39
TACR3 P29371 1/20 0.39
TSHR P16473 5/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 5/20 0.39
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 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
SCHEMBL3366770 0.81 TACR1 (0.42) POLBTACR1TACR3TSHRHTT
SCHEMBL3367006 0.80 KMT2A (0.48) TSHRKMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL4805192 0.78 TSHR (0.45) POLBTSHRKMT2ACYP1A2CYP2C19
SCHEMBL5346731 0.75 TACR1 (0.43) POLBTACR1TACR3TSHRHTT
SCHEMBL18217967 0.71 SMN1; SMN2 (0.36) TSHRKMT2AALOX15ALDH1A1MEN1
SCHEMBL1138474 0.70 TSHR (0.46) TACR1TACR3TSHRKMT2AALOX15
SCHEMBL24158217 0.69 TSHR (0.36) POLBTACR1TSHRHTTKMT2A
SCHEMBL20313801 0.68 EZH2 (0.56) TSHRKMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL9459134 0.68 KMT2A (0.46) TSHRHTTKMT2ACYP1A2CYP2C19
SCHEMBL9394890 0.68 KMT2A (0.46) TSHRHTTKMT2ACYP1A2CYP2C19

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 POLB 1544/4885TACR1 871/4885TACR3 2044/4885
US-20030171461-A1 Process for the synthesis of amine ethers from secondary amino oxides IL4I1, HCCS, CBR1 POLB 2209/4885TACR1 3271/4885TACR3 4003/4885

“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.