SCHEMBL808739

SCHEMBL808739

CC(O)(Cc1cccc2ccccc12)CN(CC(C)(O)Cc1cccc2ccccc12)C(=O)C1(C(N)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.43
TDP1 Q9NUW8 1/20 0.39
SSTR4 P31391 1/20 0.39
MTNR1A P48039 1/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
OPRD1 P41143 2/20 0.36
NPFFR1 Q9GZQ6 1/20 0.36
NPFFR2 Q9Y5X5 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
OPRM1 P35372 1/20 0.36
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
CYP1A2 P05177 1/20 0.35
METAP2 P50579 2/20 0.35
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35

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
SCHEMBL809012 0.96 OPRK1 (0.39) OPRK1TDP1SSTR4MTNR1ASLC1A3
SCHEMBL809140 0.96 OPRK1 (0.39) OPRK1TDP1SSTR4MTNR1ASLC1A3
SCHEMBL808590 0.95 OPRK1 (0.39) OPRK1TDP1SSTR4MTNR1ASLC1A3
SCHEMBL2790044 0.83 OPRK1 (0.36) OPRK1TDP1SSTR4MTNR1ASLC1A3
SCHEMBL809086 0.81 MTNR1A (0.42) OPRK1MTNR1AOPRD1NPFFR1NPFFR2
SCHEMBL809107 0.79 METAP2 (0.34) OPRK1TDP1SSTR4MTNR1ASLC1A3
SCHEMBL809047 0.79 METAP2 (0.34) OPRK1TDP1SSTR4MTNR1ASLC1A3
SCHEMBL808846 0.78 MTNR1A (0.37) OPRK1MTNR1AOPRD1NPFFR1NPFFR2
SCHEMBL808863 0.78 METAP2 (0.35) OPRK1TDP1MTNR1ASLC1A3SLC1A2
SCHEMBL808912 0.77 OPRK1 (0.38) OPRK1MTNR1ASLC1A3SLC1A2SLC1A1

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 OPRK1 334/4885TDP1 4483/4885SSTR4 2560/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE OPRK1 334/4885TDP1 4483/4885SSTR4 2560/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE OPRK1 334/4885TDP1 4483/4885SSTR4 2560/4885

“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.