SCHEMBL808762

SCHEMBL808762

N[C@H](c1ccc2ccccc2c1)C(O)(Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
CASR P41180 2/20 0.43
UGT2B7 P16662 1/20 0.42
SLC6A2 P23975 7/20 0.41
SLC6A4 P31645 7/20 0.41
SLC6A3 Q01959 7/20 0.41
KCNH2 Q12809 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2D6 P10635 4/20 0.41
AOC3 Q16853 1/20 0.41
MC4R P32245 2/20 0.41
MC5R P33032 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
MC3R P41968 1/20 0.39

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
SCHEMBL27653549 1.00 HTR2A (0.46) HTR2AHTR2CHTR2BCASRUGT2B7
SCHEMBL1661703 0.91 SLC6A2 (0.44) HTR2AHTR2CHTR2BUGT2B7SLC6A2
SCHEMBL809100 0.91 SLC6A2 (0.44) HTR2AHTR2CHTR2BUGT2B7SLC6A2
SCHEMBL808764 0.88 CASR (0.42) HTR2AHTR2CHTR2BCASRUGT2B7
SCHEMBL809120 0.86 HTR2A (0.40) HTR2AHTR2CHTR2BCASRUGT2B7
SCHEMBL809112 0.86 CASR (0.46) HTR2AHTR2CHTR2BCASRUGT2B7
SCHEMBL809144 0.84 TAAR1 (0.47) CASRCYP1A2CYP2A6
SCHEMBL809143 0.84 TAAR1 (0.47) CASRCYP1A2CYP2A6
SCHEMBL27653553 0.84 HTR2A (0.41) HTR2AHTR2CHTR2BCASRUGT2B7
SCHEMBL27653552 0.84 HTR2A (0.41) HTR2AHTR2CHTR2BCASRUGT2B7

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 10 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
CN-101125833-A Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL CO (JP) 2008-02-20 CN 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
CN-1771236-A Optically active bisoxazoline compound, process for producing the same, and use thereof SUMITOMO CHEMICAL CO (JP) 2006-05-10 CN 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 HTR2A 3875/4885HTR2C 2770/4885HTR2B 2976/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE HTR2A 3875/4885HTR2C 2770/4885HTR2B 2976/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE HTR2A 3875/4885HTR2C 2770/4885HTR2B 2976/4885

“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.