SCHEMBL6920962

SCHEMBL6920962

CCCC1CCc2nc3cc(Br)ccc3c(=O)n2CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
CACNA2D1 P54289 1/20 0.42
APP P05067 2/20 0.42
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
BCHE P06276 1/20 0.40
CFTR P13569 1/20 0.40
ALOX15 P16050 1/20 0.40
ACHE P22303 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GOPC Q9HD26 1/20 0.40

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
SCHEMBL6922008 0.92 NPC1 (0.46) NPC1RAB9ACRHBPCRHR2CACNA2D1
SCHEMBL6922453 0.84 RAB9A (0.42) NPC1RAB9AAPPALDH1A1GAA
SCHEMBL6920970 0.83 NPC1 (0.48) NPC1RAB9ACRHBPCRHR2CACNA2D1
SCHEMBL6921644 0.82 NPC1 (0.49) NPC1RAB9ACRHBPCRHR2APP
SCHEMBL9994827 0.81 RAB9A (0.41) NPC1RAB9AAPPALDH1A1GAA
SCHEMBL2050255 0.81 NPC1 (0.51) NPC1RAB9ACRHBPCRHR2APP
SCHEMBL6921621 0.81 NPC1 (0.46) NPC1RAB9ACRHBPCRHR2APP
SCHEMBL6923404 0.79 NPC1 (0.42) NPC1RAB9ACRHBPCRHR2CACNA2D1
SCHEMBL6920627 0.79 NPC1 (0.45) NPC1RAB9ACRHBPCRHR2CACNA2D1
SCHEMBL6921820 0.79 NPC1 (0.43) NPC1RAB9ACRHBPCRHR2CACNA2D1

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 NPC1 811/4885RAB9A 1387/4885CRHBP 412/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 NPC1 811/4885RAB9A 1387/4885CRHBP 412/4885

“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.