SCHEMBL6921171

SCHEMBL6921171

Cn1c(C2CN(C(=O)OC(C)(C)C)C2)nc2cc(-c3ccccn3)ccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.45
POLR1A O95602 1/20 0.41
CYP3A4 P08684 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
HPGDS O60760 2/20 0.39
PIK3CA P42336 2/20 0.38
NR1H2 P55055 1/20 0.38
POLB P06746 1/20 0.38
TNF P01375 1/20 0.38
PDE10A Q9Y233 3/20 0.37
SSTR4 P31391 1/20 0.37
MAPT P10636 1/20 0.36
PRMT5 O14744 1/20 0.36

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
SCHEMBL6922243 0.84 USP30 (0.42) USP30POLR1ACYP3A4GPR119NR1H2
SCHEMBL6922064 0.84 CYP3A4 (0.46) CYP3A4PDE10AMAPTPRMT5
SCHEMBL9994908 0.83 GRM5 (0.46) POLR1AGPR119POLBPDE10ASSTR4
SCHEMBL6922470 0.81 USP30 (0.43) USP30POLR1APIK3CASSTR4
SCHEMBL6921561 0.80 CYP3A4 (0.46) CYP3A4PDE10AMAPT
SCHEMBL6921554 0.79 CYP3A4 (0.46) CYP3A4PDE10APRMT5
SCHEMBL12059110 0.78 CYP3A4 (0.46) CYP3A4POLBPDE10APRMT5
SCHEMBL31505144 0.77 POLR1A (0.43) POLR1APIK3CAPOLBSSTR4MAPT
SCHEMBL34466498 0.75 USP30 (0.53) USP30GPR119HPGDSPOLB
SCHEMBL12059505 0.74 CYP3A4 (0.47) CYP3A4PRMT5

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 1637/4885POLR1A 4253/4885CYP3A4 4447/4885

“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.