SCHEMBL6921099

SCHEMBL6921099

CN1CCOC(c2nc3cc(Br)ccc3c(=O)n2C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BRD4 O60885 2/20 0.35
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
SOS1 Q07889 1/20 0.34
EPHA2 P29317 6/20 0.33
EPHB4 P54760 4/20 0.33
KDR P35968 3/20 0.33
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33

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
SCHEMBL6922231 0.87 CACNA2D1 (0.39) CACNA2D1HRH4USP2ALDH1A1NPC1
SCHEMBL6921189 0.84 DHFR (0.41) CACNA2D1HRH4USP2ALDH1A1NPC1
SCHEMBL6920648 0.82 CACNA2D1 (0.40) CACNA2D1HRH4USP2ALDH1A1BRD4
SCHEMBL6921962 0.81 HRH1 (0.41) CACNA2D1USP2ALDH1A1
SCHEMBL6921114 0.80 BACE1 (0.38) USP2ALDH1A1SOS1
SCHEMBL2051246 0.78 GRM5 (0.38) SOS1
SCHEMBL6923299 0.75 POLR1A (0.36) CACNA2D1HRH4USP2ALDH1A1PIM1
SCHEMBL2050602 0.74 PARG (0.38) CACNA2D1HRH4USP2ALDH1A1SOS1
SCHEMBL6921999 0.73 CACNA2D1 (0.40) CACNA2D1HRH4USP2ALDH1A1BRD4
SCHEMBL2054042 0.73 CDC7 (0.45) HRH4PIM1CSNK2B

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 CACNA2D1 1448/4885HRH4 681/4885USP2 2061/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 CACNA2D1 1448/4885HRH4 681/4885USP2 2061/4885

“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.