SCHEMBL6922176

SCHEMBL6922176

O=c1c2ccc(-c3cccnc3)cc2nc2n1CC1CCCN1C2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
USP30 Q70CQ3 2/20 0.38
GRM2 Q14416 1/20 0.37
BACE1 P56817 2/20 0.37
ATM Q13315 2/20 0.37
ATR Q13535 2/20 0.37
KCNH2 Q12809 1/20 0.37
CYP11B2 P19099 3/20 0.37
GBA1 P04062 1/20 0.36
CYP11B1 P15538 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
BTK Q06187 1/20 0.35
KDM2B Q8NHM5 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
SCHEMBL12059544 0.85 GRM2 (0.37) GRM2HRH3KDM2B
SCHEMBL6923613 0.85 GRM2 (0.37) GRM2HRH3KDM2B
SCHEMBL9994748 0.84 GRM5 (0.43)
SCHEMBL6920992 0.82 L3MBTL1 (0.38) HRH3KDM2B
SCHEMBL6922431 0.82 NPC1 (0.39) CYP2C9USP30HRH3KDM2B
SCHEMBL6920747 0.82 NPC1 (0.39) CYP2C9USP30HRH3KDM2B
SCHEMBL14239312 0.82 NPC1 (0.39) CYP2C9USP30HRH3KDM2B
SCHEMBL6922154 0.80 NPC1 (0.39) CYP2C9USP30HRH3KDM2B
SCHEMBL6921920 0.79 NPC1 (0.40) CYP2C9
SCHEMBL6921504 0.79 NPC1 (0.40) CYP2C9

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 CYP2C9 4663/4885USP30 1637/4885GRM2 2/4885

“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.