SCHEMBL809086

SCHEMBL809086

CCC(O)(CCc1cccc2ccccc12)CN(CC(O)(CC)CCc1cccc2ccccc12)C(=O)C1(C(N)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.42
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
CDYL Q9Y232 1/20 0.38
KDM4E B2RXH2 1/20 0.36
OPRK1 P41145 3/20 0.36
REN P00797 2/20 0.35
TPSAB1 Q15661 1/20 0.35
NQO2 P16083 1/20 0.34
OPRD1 P41143 2/20 0.34
NPFFR1 Q9GZQ6 1/20 0.34
NPFFR2 Q9Y5X5 1/20 0.34
OPRM1 P35372 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL809059 0.96 MTNR1A (0.40) MTNR1AGRM2GRM3CDYLKDM4E
SCHEMBL809111 0.96 MTNR1A (0.40) MTNR1AGRM2GRM3CDYLKDM4E
SCHEMBL808569 0.95 MTNR1A (0.40) MTNR1AGRM2GRM3CDYLKDM4E
SCHEMBL808846 0.89 MTNR1A (0.37) MTNR1AGRM2GRM3CDYLKDM4E
SCHEMBL808877 0.85 BCHE (0.38) MTNR1AGRM2GRM3CDYLKDM4E
SCHEMBL808606 0.85 BCHE (0.38) MTNR1AGRM2GRM3CDYLKDM4E
SCHEMBL808677 0.84 BCHE (0.39) MTNR1AGRM2GRM3CDYLKDM4E
SCHEMBL808739 0.81 OPRK1 (0.43) MTNR1AGRM2GRM3OPRK1OPRD1
SCHEMBL808912 0.78 OPRK1 (0.38) MTNR1AOPRK1
SCHEMBL809012 0.77 OPRK1 (0.39) MTNR1AGRM2GRM3OPRK1OPRD1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1593674-B1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-07-20 EP disclosed
US-7683215-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-23 US disclosed
US-7671213-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 US disclosed
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 US disclosed
US-7288674-B2 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-30 US disclosed
US-20060149077-A1 Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-07-06 US disclosed
EP-1593674-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-11-09 EP 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 (3 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-20060149077-A1 Optically active bisoxazoline compounds, process for production of the same and use thereof ACSL3, ADSL, SQLE MTNR1A 3901/4885GRM2 4017/4885GRM3 4133/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MTNR1A 3901/4885GRM2 4017/4885GRM3 4133/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MTNR1A 3901/4885GRM2 4017/4885GRM3 4133/4885

“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.