SCHEMBL12040699

SCHEMBL12040699

CC1CN(C)Cc2nc3cc(Br)ccc3c(=O)n21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 4/20 0.41
HRH4 Q9H3N8 1/20 0.39
NPC1 O15118 1/20 0.36
CRHBP P24387 1/20 0.36
RAB9A P51151 1/20 0.36
CRHR2 Q13324 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C19 P33261 1/20 0.35
ACHE P22303 1/20 0.34
CASP3 P42574 1/20 0.33
MPO P05164 1/20 0.33
APP P05067 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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 0.84 CACNA2D1 (0.40) CACNA2D1HRH4NPC1CRHBPRAB9A
SCHEMBL6921832 0.82 NPC1 (0.40) CACNA2D1HRH4NPC1CRHBPRAB9A
SCHEMBL6922499 0.81 ALDH1A1 (0.40) CACNA2D1NPC1CRHBPRAB9ACRHR2
SCHEMBL2050572 0.79 CACNA2D1 (0.43) CACNA2D1HRH4NPC1CRHBPRAB9A
SCHEMBL6923724 0.79 CACNA2D1 (0.41) CACNA2D1HRH4NPC1CRHBPRAB9A
SCHEMBL6922696 0.77 CYP3A4 (0.41) NPC1RAB9A
SCHEMBL6922635 0.77 NPC1 (0.45) CACNA2D1HRH4NPC1CRHBPRAB9A
SCHEMBL6921733 0.76 HRH4 (0.46) CACNA2D1HRH4NPC1CRHBPRAB9A
SCHEMBL6920480 0.74 NPC1 (0.44) CACNA2D1NPC1CRHBPRAB9ACRHR2
SCHEMBL9995013 0.74 POLB (0.47) NPC1RAB9ACASP3

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 6 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

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 1448/4885HRH4 681/4885NPC1 811/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 CACNA2D1 1448/4885HRH4 681/4885NPC1 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.