SCHEMBL9995103

SCHEMBL9995103

COC1(C)CCc2nc3cc(C#Cc4ccccn4)ccc3c(=O)n2C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
PTPN7 P35236 1/20 0.42
DUSP3 P51452 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 6/20 0.40
RAB9A P51151 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
HCRTR1 O43613 3/20 0.40
NSD2 O96028 1/20 0.36
GRM5 P41594 4/20 0.35
SRC P12931 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
ERN1 O75460 1/20 0.34

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
SCHEMBL2049675 0.92 POLB (0.41) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL2049676 0.92 POLB (0.41) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL2051294 0.92 POLB (0.41) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL6921020 0.89 POLB (0.44) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL14240289 0.87 POLB (0.43) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL2053374 0.87 POLB (0.43) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL15834968 0.87 POLB (0.40) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL14239924 0.86 POLB (0.43) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL6922417 0.85 NPC1 (0.44) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL6923979 0.85 POLB (0.42) POLBPTPN7DUSP3RXFP1NPC1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2020-05-05 US disclosed
US-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-05-09 US disclosed
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-02-21 US disclosed
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-02-21 US disclosed
US-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2019-02-05 US disclosed
US-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2018-09-18 US disclosed
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 US disclosed
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 US disclosed
US-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 US disclosed
US-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 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-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-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-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-06-26 US disclosed
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-06-26 US disclosed
WO-2012170845-A2 METABOTROPIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF HEFFERNAN MICHELE L R (US) 2012-12-13 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 POLB 3328/4885PTPN7 2265/4885DUSP3 2944/4885
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 POLB 4462/4885PTPN7 2475/4885DUSP3 2731/4885
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 POLB 3328/4885PTPN7 2265/4885DUSP3 2944/4885
US-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof GRM5, GRIK5, GRM2 POLB 4101/4885PTPN7 2280/4885DUSP3 3444/4885
US-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 POLB 3328/4885PTPN7 2265/4885DUSP3 2944/4885
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 POLB 3328/4885PTPN7 2265/4885DUSP3 2944/4885
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 POLB 3003/4885PTPN7 2233/4885DUSP3 3279/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 POLB 4462/4885PTPN7 2475/4885DUSP3 2731/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 POLB 4462/4885PTPN7 2475/4885DUSP3 2731/4885

“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.