SCHEMBL6920913

SCHEMBL6920913

CC(C)CC1CCCCc2nc3cc(Br)ccc3c(=O)n21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
APP P05067 2/20 0.35
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.33
ALOX15 P16050 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
PLA2G1B P04054 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33

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
SCHEMBL6922239 0.84 CACNA2D1 (0.39) CACNA2D1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6922268 0.83 CYP2D6 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2CRHBP
SCHEMBL6922742 0.83 NPC1 (0.37) CACNA2D1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6922499 0.82 ALDH1A1 (0.40) CACNA2D1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6921571 0.81 RAB9A (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2CRHBP
SCHEMBL6921832 0.78 NPC1 (0.40) CACNA2D1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6920325 0.77 NPC1 (0.39) CACNA2D1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6920959 0.76 NPC1 (0.38) CACNA2D1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6920336 0.76 TSHR (0.37) CACNA2D1ALDH1A1NPC1RAB9ACRHBP
SCHEMBL6921866 0.76 CACNA2D1 (0.37) CACNA2D1ALDH1A1NPC1RAB9ACRHBP

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 1448/4885ALDH1A1 1721/4885NPC1 811/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 CACNA2D1 1448/4885ALDH1A1 1721/4885NPC1 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.