SCHEMBL6920902

SCHEMBL6920902

O=C1CCC(COC(=O)OCC2c3ccccc3-c3ccccc32)N1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.43
KMT2A Q03164 2/20 0.43
FABP5 Q01469 3/20 0.42
FABP7 O15540 2/20 0.42
TSHR P16473 1/20 0.41
EPHX2 P34913 1/20 0.41
MGLL Q99685 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.38
IRAK1 P51617 1/20 0.36

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
SCHEMBL16261207 0.84 KMT2A (0.41) PDK2KMT2AFABP5FABP7TSHR
SCHEMBL9994585 0.83 MGLL (0.41) PDK2MGLLIRAK4IRAK1
SCHEMBL44676 0.81 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL6922177 0.81 KMT2A (0.41) KMT2AFABP5FABP7TSHREPHX2
SCHEMBL6923377 0.76 KMT2A (0.43) KMT2AFABP5FABP7TSHREPHX2
SCHEMBL6922602 0.75 KMT2A (0.45) KMT2AFABP5FABP7TSHREPHX2
SCHEMBL23629612 0.75 CHRNB2 (0.47) PDK2KMT2AIRAK4
SCHEMBL25694068 0.75 CHRNB2 (0.47) PDK2KMT2AIRAK4
SCHEMBL15058849 0.75 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL20321891 0.75 KMT2A (0.44) KMT2AFABP5FABP7TSHREPHX2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 WO 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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 PDK2 502/4885KMT2A 944/4885FABP5 382/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 PDK2 502/4885KMT2A 944/4885FABP5 382/4885

“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.