SCHEMBL12059019

SCHEMBL12059019

CC(C)CC1Cc2nc3cc(-c4cccc(F)c4)ccc3c(=O)n2C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.36
GRM2 Q14416 2/20 0.36
LRRK2 Q5S007 1/20 0.36
BACE1 P56817 1/20 0.34
BCL2A1 Q16548 1/20 0.34
BRD4 O60885 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PGR P06401 1/20 0.34
TGFBR1 P36897 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAP4K4 O95819 1/20 0.34
NPR1 P16066 2/20 0.33

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
SCHEMBL6923355 0.85 GRM5 (0.39)
SCHEMBL12059022 0.85 GRM2 (0.39) CTSDGRM2LRRK2BACE1BCL2A1
SCHEMBL12059079 0.84 BCL2A1 (0.38) CTSDGRM2BCL2A1
SCHEMBL6923104 0.80 CACNA2D1 (0.43)
SCHEMBL12059074 0.79 LMNA (0.38) BACE1BCL2A1TNKS2TGFBR1
SCHEMBL12059075 0.79 GRM2 (0.37) GRM2BRD4KCNH2NPR1
SCHEMBL6920638 0.79 RAB9A (0.38) GRM2KCNH2
SCHEMBL12059033 0.78 RAB9A (0.37) GRM2LRRK2KCNH2MAP4K4
SCHEMBL6920969 0.78 GRM2 (0.37) GRM2BCL2A1BRD4KCNH2
SCHEMBL6921782 0.78 GSK3A (0.36) CTSDBACE1BCL2A1TNKS2MAP4K4

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 1 patent. 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

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 CTSD 4089/4885GRM2 2/4885LRRK2 309/4885

“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.