SCHEMBL6922499

SCHEMBL6922499

CC1CCCCc2nc3cc(Br)ccc3c(=O)n21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
ACHE P22303 2/20 0.39
CACNA2D1 P54289 1/20 0.39
GAA P10253 2/20 0.37
ALOX15 P16050 2/20 0.37
LMNA P02545 1/20 0.36
CYP2C19 P33261 1/20 0.36
APP P05067 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL6921832 0.96 NPC1 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL6921788 0.91 CACNA2D1 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL6920913 0.82 CACNA2D1 (0.37) ALDH1A1SMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL12040699 0.81 CACNA2D1 (0.41) ALDH1A1NPC1RAB9ACRHBPCRHR2
SCHEMBL6922239 0.81 CACNA2D1 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL6922742 0.79 NPC1 (0.37) ALDH1A1SMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL6922143 0.78 CYP3A4 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL6923724 0.78 CACNA2D1 (0.41) ALDH1A1NPC1RAB9ACRHBPCRHR2
SCHEMBL6922564 0.77 NPC1 (0.45) ALDH1A1SMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL6920325 0.75 NPC1 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9ACRHBP

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 ALDH1A1 1721/4885SMN1; SMN2 636/4885NPC1 811/4885
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 636/4885NPC1 811/4885

“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.