SCHEMBL2040100

SCHEMBL2040100

O=C1CCC(OS(=O)(=O)c2ccc(Br)cc2)CN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.46
CYP2D6 P10635 1/20 0.35
CRBN Q96SW2 2/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
MMP2 P08253 1/20 0.34
CA2 P00918 1/20 0.33
APP P05067 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
PLCG1 P19174 1/20 0.33
IDO1 P14902 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL18840056 0.87 CYP2D6 (0.49) CYP2D6CRBNALDH1A1MAPTLMNA
SCHEMBL18840055 0.87 CYP2D6 (0.49) CYP2D6CRBNALDH1A1MAPTLMNA
SCHEMBL10596653 0.87 CYP2D6 (0.49) CYP2D6CRBNALDH1A1MAPTLMNA
SCHEMBL2043937 0.87 PARL (0.41) CYP2D6CRBNMAPK1ALDH1A1MAPT
SCHEMBL21552697 0.76 MAPK1 (0.45) CYP2D6HTTMAPK1MMP2CA2
SCHEMBL14653762 0.75 HTR2C (0.37) GLACRBN
SCHEMBL10597556 0.75 CYP2D6 (0.48) CYP2D6CRBNMMP2ALDH1A1MAPT
SCHEMBL3443817 0.74 MAPK1 (0.51) CYP2D6HTTMAPK1MMP2CA2
SCHEMBL23160446 0.73 CRBN (0.31) CRBN
SCHEMBL21036753 0.70 TSHR (0.38) CYP2D6HTTMAPK1MMP2CA2

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
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-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-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-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 (4 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 GLA 3771/4885CYP2D6 3733/4885CRBN 1668/4885
US-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof GRM5, GRIK5, GRM2 GLA 3984/4885CYP2D6 3405/4885CRBN 3292/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 GLA 3771/4885CYP2D6 3733/4885CRBN 1668/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 GLA 3771/4885CYP2D6 3733/4885CRBN 1668/4885

“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.