SCHEMBL808778

SCHEMBL808778

CC(C)(O)C(N)c1ccc(F)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.38
SIGMAR1 Q99720 2/20 0.34
HTR1B P28222 1/20 0.33
HTR2B P41595 1/20 0.33
GPR65 Q8IYL9 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
F2RL1 P55085 1/20 0.30

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
SCHEMBL809070 1.00 PDE2A (0.38) PDE2ASIGMAR1HTR1BHTR2BGPR65
SCHEMBL808807 0.81 CYP1A2 (0.46) SLC22A12ALDH1A1TSHR
SCHEMBL808804 0.81 CYP1A2 (0.46) SLC22A12ALDH1A1TSHR
SCHEMBL17439882 0.78 PDE2A (0.41) PDE2AALDH1A1
SCHEMBL808831 0.77 IDO1 (0.47) PDE2AALDH1A1
SCHEMBL809205 0.77 IDO1 (0.47) PDE2AALDH1A1
Hydrochloric Acid SCHEMBL28666635 0.77 PDE2A (0.41) PDE2AALDH1A1
SCHEMBL7003988 0.76 PDE2A (0.43) PDE2ASIGMAR1HTR1BHTR2BGPR65
SCHEMBL1253164 0.76 PDE2A (0.43) PDE2ASIGMAR1HTR1BHTR2BGPR65
SCHEMBL809175 0.75 ALDH1A1 (0.47) SLC6A4ALDH1A1TSHR

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-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
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 PDE2A 1693/4885SIGMAR1 1089/4885HTR1B 2222/4885
US-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE PDE2A 1693/4885SIGMAR1 1089/4885HTR1B 2222/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE PDE2A 1693/4885SIGMAR1 1089/4885HTR1B 2222/4885

“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.