SCHEMBL6922156

SCHEMBL6922156

O=c1c2ccc(Br)cc2nc2n1CC(CO)C2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 3/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
APP P05067 2/20 0.36
JAK3 P52333 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
MPO P05164 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
SCHEMBL6920627 0.88 NPC1 (0.45) CACNA2D1NPC1RAB9ACRHBPCRHR2
SCHEMBL6923404 0.88 NPC1 (0.42) CACNA2D1NPC1RAB9ACRHBPCRHR2
SCHEMBL6923104 0.84 CACNA2D1 (0.43) CACNA2D1NPC1RAB9ACRHBPCRHR2
SCHEMBL6922281 0.83 CACNA2D1 (0.38) CACNA2D1NPC1RAB9ACRHBPCRHR2
SCHEMBL14238897 0.82 CACNA2D1 (0.40) CACNA2D1NPC1RAB9ACRHBPCRHR2
SCHEMBL6920429 0.81 CACNA2D1 (0.45) CACNA2D1NPC1RAB9ACRHBPCRHR2
SCHEMBL14238875 0.79 NPC1 (0.41) CACNA2D1NPC1RAB9ACRHBPCRHR2
SCHEMBL14240256 0.78 CACNA2D1 (0.39) CACNA2D1NPC1RAB9ACRHBPCRHR2
SCHEMBL6921685 0.78 NPC1 (0.39) NPC1RAB9A
SCHEMBL19129024 0.78 CACNA2D1 (0.43) CACNA2D1NPC1RAB9ACRHBPCRHR2

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 1448/4885NPC1 811/4885RAB9A 1387/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 CACNA2D1 1448/4885NPC1 811/4885RAB9A 1387/4885

“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.