SCHEMBL6920707

SCHEMBL6920707

CC1(C)CNCc2nc3cc(Br)ccc3c(=O)n21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 6/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.33
CRHBP P24387 1/20 0.33
RAB9A P51151 1/20 0.33
CRHR2 Q13324 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
CASP3 P42574 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
CHEK1 O14757 1/20 0.31
PIM1 P11309 1/20 0.31
AKT1 P31749 1/20 0.31
FLT3 P36888 1/20 0.31
PIM3 Q86V86 1/20 0.31
USP2 O75604 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
SCHEMBL6921580 0.75 RAB9A (0.39) CACNA2D1L3MBTL1GAANPC1CRHBP
SCHEMBL2053271 0.73 NPC1 (0.43) CACNA2D1L3MBTL1NPC1CRHBPRAB9A
SCHEMBL6923724 0.72 CACNA2D1 (0.41) CACNA2D1GAANPC1CRHBPRAB9A
SCHEMBL6922851 0.70 RAB9A (0.41) CACNA2D1L3MBTL1NPC1CRHBPRAB9A
SCHEMBL6920642 0.69 RAB9A (0.43) CACNA2D1L3MBTL1NPC1CRHBPRAB9A
SCHEMBL21089736 0.69 CACNA2D1 (0.40) CACNA2D1L3MBTL1GAANPC1CRHBP
SCHEMBL2053715 0.68 RAB9A (0.44) CACNA2D1L3MBTL1NPC1CRHBPRAB9A
SCHEMBL6921496 0.68 CACNA2D1 (0.47) CACNA2D1NPC1CRHBPRAB9ACRHR2
SCHEMBL6920734 0.68 ALDH1A1 (0.39) CACNA2D1L3MBTL1GAANPC1CRHBP
SCHEMBL6921786 0.68 RAB9A (0.37) CACNA2D1L3MBTL1NPC1CRHBPRAB9A

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 1448/4885L3MBTL1 3622/4885GAA 1294/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 CACNA2D1 1448/4885L3MBTL1 3622/4885GAA 1294/4885

“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.