SCHEMBL12059014

SCHEMBL12059014

CN1CCC(c2nc3cc(-c4cccc(F)c4)ccc3c(=O)n2C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.39
BACE1 P56817 1/20 0.39
KCNH2 Q12809 3/20 0.39
CHRM1 P11229 3/20 0.39
HRH1 P35367 3/20 0.39
CYP2D6 P10635 2/20 0.39
MAP4K4 O95819 1/20 0.39
TNKS2 Q9H2K2 2/20 0.37
NPR1 P16066 1/20 0.37
HTR6 P50406 1/20 0.37
PRKCQ Q04759 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
TGFBR1 P36897 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
TNKS O95271 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
SCHEMBL2053764 0.85 GRM5 (0.44)
SCHEMBL6921114 0.85 BACE1 (0.38) BACE1CYP2D6MAP4K4TNKS2USP2
SCHEMBL6922443 0.82 PDE1C (0.42) DYRK1ABACE1TNKS2USP2ALDH1A1
SCHEMBL6920339 0.81 USP30 (0.43) DYRK1ABACE1HRH1TNKS2USP2
SCHEMBL6921190 0.80 CTSD (0.46) BACE1TNKS2USP2ALDH1A1CYP1A2
SCHEMBL6920648 0.79 CACNA2D1 (0.40) KCNH2CHRM1HRH1CYP2D6USP2
SCHEMBL12059071 0.77 BACE1 (0.38) DYRK1ABACE1TNKS2USP2ALDH1A1
SCHEMBL6920609 0.72 ALDH1A1 (0.47) KCNH2ALDH1A1
SCHEMBL12059332 0.72 BCL2A1 (0.38) KCNH2
SCHEMBL6922377 0.72 LMNA (0.41) BACE1TNKS2TGFBR1TRPV4

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 DYRK1A 3386/4885BACE1 1400/4885KCNH2 3931/4885

“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.