SCHEMBL6922074

SCHEMBL6922074

CC1Cn2c(nc3cc(Br)ccc3c2=O)CO1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 8/20 0.45
NPC1 O15118 1/20 0.37
CRHBP P24387 1/20 0.37
RAB9A P51151 1/20 0.37
CRHR2 Q13324 1/20 0.37
LMNA P02545 1/20 0.34
CYP2C19 P33261 1/20 0.34
APP P05067 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRM1 P35372 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MPO P05164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABL1 P00519 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
SCHEMBL6921941 0.81 GRM2 (0.40) CACNA2D1NPC1RAB9ALMNAALDH1A1
SCHEMBL6920429 0.81 CACNA2D1 (0.45) CACNA2D1NPC1CRHBPRAB9ACRHR2
SCHEMBL12039994 0.79 GRM5 (0.38) NPC1RAB9ALMNACYP2C19KMT2A
SCHEMBL6920480 0.79 NPC1 (0.44) CACNA2D1NPC1CRHBPRAB9ACRHR2
SCHEMBL15865810 0.78 GRM5 (0.38) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL6921994 0.78 METAP2 (0.40) CACNA2D1NPC1RAB9A
SCHEMBL2050572 0.78 CACNA2D1 (0.43) CACNA2D1NPC1CRHBPRAB9ACRHR2
SCHEMBL6921496 0.78 CACNA2D1 (0.47) CACNA2D1NPC1CRHBPRAB9ACRHR2
SCHEMBL6921786 0.78 RAB9A (0.37) CACNA2D1NPC1CRHBPRAB9ACRHR2
SCHEMBL6922564 0.77 NPC1 (0.45) CACNA2D1NPC1CRHBPRAB9ACRHR2

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 811/4885CRHBP 412/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 CACNA2D1 1448/4885NPC1 811/4885CRHBP 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.