SCHEMBL6922064

SCHEMBL6922064

CN1CC(c2nc3cc(-c4ccccn4)ccc3c(=O)n2C)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
PDE10A Q9Y233 2/20 0.44
TGFBR1 P36897 1/20 0.41
METAP1 P53582 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
METAP2 P50579 2/20 0.38
DHODH Q02127 1/20 0.38
BRD4 O60885 2/20 0.36
DRD2 P14416 1/20 0.36
MAPT P10636 1/20 0.36
NPY5R Q15761 1/20 0.36
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL6921561 0.89 CYP3A4 (0.46) CYP3A4PDE10ATGFBR1METAP1GSK3B
SCHEMBL6921554 0.88 CYP3A4 (0.46) CYP3A4PDE10ATGFBR1METAP1GSK3B
SCHEMBL12059110 0.87 CYP3A4 (0.46) CYP3A4PDE10ATGFBR1METAP2DHODH
SCHEMBL6921171 0.84 USP30 (0.45) CYP3A4PDE10AMAPTPRMT5
SCHEMBL6922232 0.83 CYP3A4 (0.45) CYP3A4TGFBR1METAP1GSK3BDYRK1A
SCHEMBL12059505 0.83 CYP3A4 (0.47) CYP3A4TGFBR1METAP1GSK3BDYRK1A
SCHEMBL6920558 0.83 CYP3A4 (0.45) CYP3A4TGFBR1METAP1GSK3BDYRK1A
SCHEMBL2053451 0.79 POLB (0.51) PDE10A
SCHEMBL6922215 0.78 TGFBR1 (0.43) CYP3A4TGFBR1METAP2DHODHNPY5R
SCHEMBL6920937 0.76 TGFBR1 (0.51) CYP3A4TGFBR1

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 CYP3A4 4447/4885PDE10A 1514/4885TGFBR1 3543/4885

“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.