SCHEMBL6920339

SCHEMBL6920339

CN1CCCC1c1nc2cc(-c3cccc(F)c3)ccc2c(=O)n1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.43
BACE1 P56817 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
DYRK1A Q13627 1/20 0.38
TNKS2 Q9H2K2 1/20 0.37
GRM5 P41594 7/20 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

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
SCHEMBL2050537 0.85 GRM5 (0.44) GRM5
SCHEMBL12059071 0.85 BACE1 (0.38) BACE1DYRK1ATNKS2USP2ALDH1A1
SCHEMBL12059014 0.81 DYRK1A (0.39) BACE1HRH1DYRK1ATNKS2USP2
SCHEMBL6921190 0.80 CTSD (0.46) BACE1TNKS2USP2ALDH1A1CYP1A2
SCHEMBL6922000 0.80 ACHE (0.38) USP30GRM5
SCHEMBL2054042 0.79 CDC7 (0.45)
SCHEMBL6922443 0.78 PDE1C (0.42) BACE1DYRK1ATNKS2USP2ALDH1A1
SCHEMBL6921114 0.77 BACE1 (0.38) BACE1TNKS2USP2ALDH1A1CYP1A2
SCHEMBL12059332 0.76 BCL2A1 (0.38)
SCHEMBL6920609 0.74 ALDH1A1 (0.47) ADRA1AHRH3ALDH1A1

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 1637/4885BACE1 1400/4885ADRA1A 1534/4885

“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.