SCHEMBL6922243

SCHEMBL6922243

Cn1c(C2CCN2C(=O)OC(C)(C)C)nc2cc(-c3ccccn3)ccc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.42
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
CYP3A4 P08684 1/20 0.39
POLB P06746 2/20 0.38
GPR119 Q8TDV5 2/20 0.38
NR1H2 P55055 1/20 0.37
DRD2 P14416 1/20 0.35
POLR1A O95602 1/20 0.35
ABL1 P00519 2/20 0.35
GCK P35557 1/20 0.35
DHODH Q02127 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
BCR P11274 1/20 0.35
DTYMK P23919 1/20 0.35
MMP13 P45452 1/20 0.34

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
SCHEMBL6921171 0.84 USP30 (0.45) USP30CYP3A4POLBGPR119NR1H2
SCHEMBL12040207 0.83 GRM5 (0.43) POLBGPR119POLR1A
SCHEMBL6920558 0.82 CYP3A4 (0.45) USP30GSK3BDYRK1ACYP3A4DRD2
SCHEMBL6922132 0.82 USP30 (0.40) USP30GSK3BNR1H2POLR1A
SCHEMBL12059505 0.75 CYP3A4 (0.47) GSK3BDYRK1ACYP3A4ABL1DHODH
SCHEMBL6922232 0.75 CYP3A4 (0.45) GSK3BDYRK1ACYP3A4ABL1DHODH
SCHEMBL6922064 0.74 CYP3A4 (0.46) GSK3BDYRK1ACYP3A4DRD2DHODH
SCHEMBL6921554 0.74 CYP3A4 (0.46) GSK3BDYRK1ACYP3A4ABL1DHODH
SCHEMBL29785757 0.72 GPR119 (0.52) USP30POLBGPR119
SCHEMBL29549924 0.72 GPR119 (0.52) USP30POLBGPR119

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 USP30 1637/4885GSK3B 1795/4885DYRK1A 3386/4885

“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.