SCHEMBL6920648

SCHEMBL6920648

CN1CCC(c2nc3cc(Br)ccc3c(=O)n2C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
PARG Q86W56 1/20 0.38
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BRD4 O60885 1/20 0.35
MPO P05164 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KCNH2 Q12809 5/20 0.34
CYP2D6 P10635 2/20 0.34
CHRM1 P11229 2/20 0.34
HRH1 P35367 2/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
PIM1 P11309 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
SCHEMBL6921099 0.82 CACNA2D1 (0.38) CACNA2D1HRH4HDAC1HDAC6USP2
SCHEMBL6921999 0.81 CACNA2D1 (0.40) CACNA2D1HRH4PARGHDAC1HDAC6
SCHEMBL6922231 0.80 CACNA2D1 (0.39) CACNA2D1HRH4PARGHDAC1HDAC6
SCHEMBL2053560 0.80 PARG (0.38) CACNA2D1HRH4PARGHDAC1HDAC6
SCHEMBL6920644 0.80 PARG (0.38) CACNA2D1HRH4PARGHDAC1HDAC6
SCHEMBL2050602 0.80 PARG (0.38) CACNA2D1HRH4PARGUSP2ALDH1A1
SCHEMBL12059014 0.79 DYRK1A (0.39) USP2ALDH1A1KCNH2CYP2D6CHRM1
SCHEMBL2054042 0.78 CDC7 (0.45) HRH4PIM1CSNK2B
SCHEMBL6921189 0.77 DHFR (0.41) CACNA2D1HRH4USP2ALDH1A1NPC1
SCHEMBL2053764 0.77 GRM5 (0.44)

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 681/4885PARG 4483/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 CACNA2D1 1448/4885HRH4 681/4885PARG 4483/4885

“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.