SCHEMBL2049568

SCHEMBL2049568

COS(=O)(=O)c1ccccc1C1CCc2nc3cc(Br)ccc3c(=O)n21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 4/20 0.35
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
RIPK1 Q13546 2/20 0.32
NPC1 O15118 1/20 0.32
CRHBP P24387 1/20 0.32
RAB9A P51151 1/20 0.32
CRHR2 Q13324 1/20 0.32
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
IDO2 Q6ZQW0 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CASP1 P29466 1/20 0.31
CASP3 P42574 1/20 0.31
CASP8 Q14790 1/20 0.31
PLA2G1B P04054 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL2052695 0.74 IDO1 (0.35) NPC1CRHBPRAB9ACRHR2IDO1
SCHEMBL6922316 0.73 KDM4E (0.36) NPC1CRHBPRAB9ACRHR2IDO1
SCHEMBL6921788 0.73 CACNA2D1 (0.40) DDB1CRBNNPC1CRHBPRAB9A
SCHEMBL6920336 0.72 TSHR (0.37) NPC1CRHBPRAB9ACRHR2TOP2A
SCHEMBL15855478 0.70 CASP1 (0.34) NPC1CRHBPRAB9ACRHR2CASP1
SCHEMBL15855479 0.69 CASP1 (0.35) NPC1CRHBPRAB9ACRHR2IDO1
SCHEMBL12040238 0.69 ALDH1A1 (0.40) CASP1CASP3CASP8
SCHEMBL6921832 0.69 NPC1 (0.40) NPC1CRHBPRAB9ACRHR2CACNA2D1
SCHEMBL6922499 0.68 ALDH1A1 (0.40) NPC1CRHBPRAB9ACRHR2CACNA2D1
SCHEMBL6920325 0.68 NPC1 (0.39) NPC1CRHBPRAB9ACRHR2CACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof GRM5, GRIK5, GRM2 APLNR 131/4885DDB1 3280/4885CRBN 3292/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 APLNR 146/4885DDB1 1902/4885CRBN 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.