SCHEMBL808912

SCHEMBL808912

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.38
MME P08473 2/20 0.37
ACE P12821 2/20 0.37
METAP2 P50579 3/20 0.35
METAP1 P53582 1/20 0.35
CTNNB1 P35222 1/20 0.34
MMP9 P14780 3/20 0.33
ANPEP P15144 1/20 0.33
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MTNR1A P48039 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32
MC4R P32245 1/20 0.32
MC5R P33032 1/20 0.32
MC3R P41968 1/20 0.32
MC1R Q01726 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32

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
SCHEMBL809213 0.96 MME (0.36) OPRK1MMEACEMETAP2METAP1
SCHEMBL2785927 0.96 MME (0.36) OPRK1MMEACEMETAP2METAP1
SCHEMBL808875 0.95 METAP2 (0.35) OPRK1MMEACEMETAP2METAP1
SCHEMBL809086 0.78 MTNR1A (0.42) OPRK1MTNR1A
SCHEMBL808739 0.77 OPRK1 (0.43) OPRK1METAP2CTNNB1L3MBTL1MTNR1A
SCHEMBL808846 0.76 MTNR1A (0.37) OPRK1METAP2MTNR1AMC4RMC5R
SCHEMBL809059 0.74 MTNR1A (0.40) OPRK1METAP2MTNR1A
SCHEMBL809111 0.74 MTNR1A (0.40) OPRK1METAP2MTNR1A
SCHEMBL2790044 0.74 OPRK1 (0.36) OPRK1METAP2L3MBTL1MTNR1AMC4R
SCHEMBL808569 0.74 MTNR1A (0.40) METAP2METAP1MTNR1A

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 334/4885MME 4554/4885ACE 2367/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE OPRK1 334/4885MME 4554/4885ACE 2367/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE OPRK1 334/4885MME 4554/4885ACE 2367/4885

“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.