SCHEMBL6921401

SCHEMBL6921401

O=c1c2ccc(-c3cccc(F)c3)cc2ncn1CC1CCCN1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRPS1 P60891 6/20 0.49
CDK9 P50750 1/20 0.41
GRK2 P25098 1/20 0.41
GRK1 Q15835 1/20 0.41
SLC2A1 P11166 1/20 0.39
GRIN2B Q13224 3/20 0.38
GRIN1 Q05586 2/20 0.38
USP7 Q93009 1/20 0.38
SSTR2 P30874 1/20 0.38
P2RX7 Q99572 2/20 0.37

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
SCHEMBL2049822 0.85 CHRNB2 (0.41) PRPS1
SCHEMBL6920793 0.85 ICMT (0.47) PRPS1GRK2GRK1SLC2A1GRIN2B
SCHEMBL12059116 0.80 ADRA1A (0.49) SLC2A1
SCHEMBL6922028 0.76 SLC2A1 (0.52) GRK2GRK1SLC2A1
SCHEMBL12059005 0.75 ICMT (0.47) GRK2GRK1SLC2A1
SCHEMBL12059745 0.75 ACVR1 (0.50) SLC2A1
SCHEMBL6921950 0.74 MAPK14 (0.47) GRK2GRK1SLC2A1GRIN2B
SCHEMBL6922817 0.73 PRCP (0.42) SLC2A1USP7P2RX7
SCHEMBL23407332 0.72 NFE2L2 (0.61) PRPS1
SCHEMBL23407326 0.72 PRPS1 (0.51) PRPS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 PRPS1 3144/4885CDK9 2035/4885GRK2 38/4885

“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.