SCHEMBL6922472

SCHEMBL6922472

CCN1CCc2nc3cc(Br)ccc3c(=O)n2CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
CRHBP P24387 1/20 0.45
RAB9A P51151 1/20 0.45
CRHR2 Q13324 1/20 0.45
GAA P10253 1/20 0.45
APP P05067 2/20 0.44
CACNA2D1 P54289 1/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
BCHE P06276 1/20 0.42
CFTR P13569 1/20 0.42
ALOX15 P16050 1/20 0.42
ACHE P22303 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GOPC Q9HD26 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL14238940 0.86 NPC1 (0.46) ALDH1A1SMN1; SMN2KDM4ENPC1CRHBP
SCHEMBL14238899 0.86 NPC1 (0.46) ALDH1A1SMN1; SMN2KDM4ENPC1CRHBP
SCHEMBL6920975 0.84 LMNA (0.53) ALDH1A1SMN1; SMN2KDM4ENPC1CRHBP
SCHEMBL6922312 0.81 NPC1 (0.46) ALDH1A1SMN1; SMN2KDM4ENPC1CRHBP
SCHEMBL6920979 0.81 RAB9A (0.45) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL12041878 0.81 NPC1 (0.45) ALDH1A1SMN1; SMN2KDM4ENPC1CRHBP
SCHEMBL6920936 0.80 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KDM4ENPC1CRHBP
SCHEMBL6922766 0.80 ADORA2A (0.46) ALDH1A1KDM4ENPC1CRHBPRAB9A
SCHEMBL6920428 0.79 MEN1 (0.63) ALDH1A1SMN1; SMN2KDM4ENPC1CRHBP
SCHEMBL6921560 0.79 NPC1 (0.41) ALDH1A1SMN1; SMN2KDM4ENPC1CRHBP

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 13 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-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-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-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
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 ALDH1A1 1721/4885SMN1; SMN2 636/4885KDM4E 2003/4885
US-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof GRM5, GRIK5, GRM2 ALDH1A1 1457/4885SMN1; SMN2 845/4885KDM4E 3942/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 ALDH1A1 1721/4885SMN1; SMN2 636/4885KDM4E 2003/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 ALDH1A1 1721/4885SMN1; SMN2 636/4885KDM4E 2003/4885

“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.