SCHEMBL808784

SCHEMBL808784

CCCC(CCC)(C(=O)NCC(O)(CC)CCc1cccc2ccccc12)C(=O)NCC(O)(CC)CCc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.45
REN P00797 3/20 0.42
NQO2 P16083 1/20 0.41
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
SSTR4 P31391 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CDYL Q9Y232 1/20 0.37
HPGD P15428 1/20 0.37
EPHX1 P07099 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL808598 0.94 MTNR1A (0.46) MTNR1ARENNQO2GRM2GRM3
SCHEMBL808746 0.89 MTNR1A (0.46) MTNR1ARENNQO2GRM2GRM3
SCHEMBL809084 0.88 MTNR1A (0.46) MTNR1ARENNQO2TRPV1SSTR4
SCHEMBL808551 0.86 MTNR1A (0.48) MTNR1ARENNQO2GRM2GRM3
SCHEMBL808578 0.85 MTNR1A (0.45) MTNR1ARENNQO2TRPV1SSTR4
SCHEMBL808841 0.82 SSTR4 (0.46) MTNR1ARENSSTR4TDP1MEN1
SCHEMBL808671 0.79 MME (0.38) MTNR1AREN
SCHEMBL808619 0.79 MTNR1A (0.46) MTNR1ARENNQO2TRPV1SSTR4
SCHEMBL808635 0.77 SSTR4 (0.40) MTNR1ARENSSTR4MEN1KMT2A
SCHEMBL808723 0.76 MTNR1A (0.48) MTNR1ARENNQO2EPHX1

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 6 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
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 (2 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-20080076941-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MTNR1A 3901/4885REN 654/4885NQO2 652/4885
US-20080076931-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUNDS, PROCESS FOR PRODUCTION OF THE SAME AND USE THEREOF ACSL3, ADSL, SQLE MTNR1A 3901/4885REN 654/4885NQO2 652/4885

“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.