Sugi Predict

Sugi Predict / Compounds / SCHEMBL809012

SCHEMBL809012

SCHEMBL809012

CC(O)(Cc1cccc2ccccc12)CN(CC(C)(O)Cc1cccc2ccccc12)C(=O)C1(C(N)=O)CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.39
▸ SSTR4 P31391 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ METAP2 P50579 2/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ CASR P41180 1/20 0.35
▸ SLC1A3 P43003 1/20 0.35
▸ SLC1A2 P43004 1/20 0.35
▸ SLC1A1 P43005 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ GRM3 Q14832 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ MC4R P32245 1/20 0.34
▸ MC5R P33032 1/20 0.34
▸ MC3R P41968 1/20 0.34
▸ MC1R Q01726 1/20 0.34
▸ NPFFR1 Q9GZQ6 2/20 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
SCHEMBL809140 0.98 OPRK1 (0.39) OPRK1SSTR4TDP1METAP2MTNR1A
SCHEMBL808590 0.97 OPRK1 (0.39) OPRK1SSTR4TDP1METAP2MTNR1A
SCHEMBL808739 0.96 OPRK1 (0.43) OPRK1SSTR4TDP1METAP2MTNR1A
SCHEMBL809107 0.83 METAP2 (0.34) OPRK1SSTR4TDP1METAP2MTNR1A
SCHEMBL809047 0.81 METAP2 (0.34) OPRK1SSTR4TDP1METAP2MTNR1A
SCHEMBL809059 0.81 MTNR1A (0.40) OPRK1METAP2MTNR1AGRM2GRM3
SCHEMBL808863 0.81 METAP2 (0.35) OPRK1TDP1METAP2MTNR1ASLC1A3
SCHEMBL809111 0.79 MTNR1A (0.40) OPRK1METAP2MTNR1AGRM2GRM3
SCHEMBL808606 0.79 BCHE (0.38) METAP2MTNR1AGRM2GRM3MC4R
SCHEMBL2790044 0.79 OPRK1 (0.36) OPRK1SSTR4TDP1METAP2MTNR1A

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-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ITAGAKI MAKOTO 2008-03-27 — — 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-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 334/4885SSTR4 2560/4885TDP1 4483/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE OPRK1 334/4885SSTR4 2560/4885TDP1 4483/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE OPRK1 334/4885SSTR4 2560/4885TDP1 4483/4885

“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.