SCHEMBL6923724

SCHEMBL6923724

CC1CNCc2nc3cc(Br)ccc3c(=O)n21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 8/20 0.41
MPO P05164 1/20 0.35
NPC1 O15118 1/20 0.33
CRHBP P24387 1/20 0.33
RAB9A P51151 1/20 0.33
CRHR2 Q13324 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
OPRM1 P35372 1/20 0.31
ACHE P22303 1/20 0.31
CASP3 P42574 1/20 0.31

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
SCHEMBL6921788 0.81 CACNA2D1 (0.40) CACNA2D1MPONPC1CRHBPRAB9A
SCHEMBL12040699 0.79 CACNA2D1 (0.41) CACNA2D1MPONPC1CRHBPRAB9A
SCHEMBL6921832 0.79 NPC1 (0.40) CACNA2D1NPC1CRHBPRAB9ACRHR2
SCHEMBL6922499 0.78 ALDH1A1 (0.40) CACNA2D1NPC1CRHBPRAB9ACRHR2
SCHEMBL2053271 0.73 NPC1 (0.43) CACNA2D1NPC1CRHBPRAB9ACRHR2
SCHEMBL6921496 0.72 CACNA2D1 (0.47) CACNA2D1MPONPC1CRHBPRAB9A
SCHEMBL6920707 0.72 CACNA2D1 (0.39) CACNA2D1NPC1CRHBPRAB9ACRHR2
SCHEMBL6924036 0.72 NPC1 (0.43) CACNA2D1NPC1CRHBPRAB9ACRHR2
SCHEMBL6920429 0.70 CACNA2D1 (0.45) CACNA2D1MPONPC1CRHBPRAB9A
SCHEMBL2050572 0.70 CACNA2D1 (0.43) CACNA2D1MPONPC1CRHBPRAB9A

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 1448/4885MPO 2711/4885NPC1 811/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 CACNA2D1 1448/4885MPO 2711/4885NPC1 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.