SCHEMBL808706

SCHEMBL808706

COc1ccccc1CC(O)(Cc1ccccc1OC)C(N)c1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.51
SLC6A4 P31645 3/20 0.51
SLC6A3 Q01959 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
KCNH2 Q12809 1/20 0.51
GRIN1 Q05586 1/20 0.49
GRIN2B Q13224 1/20 0.49
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTR1A P08908 1/20 0.40
NR3C1 P04150 1/20 0.39
AOC3 Q16853 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
UGT2B7 P16662 1/20 0.39
IDO1 P14902 1/20 0.38

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
SCHEMBL808707 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL27653519 0.90 CYP2D6 (0.43) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL808907 0.83 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL809112 0.81 CASR (0.46) SLC6A2SLC6A4SLC6A3CYP2D6MEN1
SCHEMBL808857 0.80 MC5R (0.43) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL27653528 0.80 MC5R (0.43) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL809143 0.79 TAAR1 (0.47) MEN1KMT2AALDH1A1IDO1TAAR1
SCHEMBL809144 0.79 TAAR1 (0.47) MEN1KMT2AALDH1A1IDO1TAAR1
SCHEMBL28757388 0.78 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL28757389 0.78 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6

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 SLC6A2 4835/4885SLC6A4 4576/4885SLC6A3 4859/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE SLC6A2 4835/4885SLC6A4 4576/4885SLC6A3 4859/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE SLC6A2 4835/4885SLC6A4 4576/4885SLC6A3 4859/4885

“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.