SCHEMBL6922480

SCHEMBL6922480

CC1CCn2c1nc1cc(-c3ccccn3)ccc1c2=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
BCHE P06276 1/20 0.44
CYP3A4 P08684 1/20 0.40
TGFBR1 P36897 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
METAP2 P50579 2/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ABL1 P00519 1/20 0.36
DHODH Q02127 1/20 0.36
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 1/20 0.35
NSD2 O96028 1/20 0.35
GHSR Q92847 1/20 0.35
CNR2 P34972 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
SCHEMBL6922083 0.93 ACHE (0.40) ACHEBCHECYP3A4TGFBR1GSK3B
SCHEMBL6922491 0.89 ACHE (0.43) ACHEBCHECYP3A4TGFBR1GSK3B
SCHEMBL12059210 0.85 ACHE (0.43) ACHEBCHECYP3A4TGFBR1GSK3B
SCHEMBL14239041 0.84 METAP2 (0.40) ACHEBCHECYP3A4TGFBR1GSK3B
SCHEMBL6920417 0.83 NPC1 (0.41) ACHEBCHECYP3A4TGFBR1GSK3B
SCHEMBL6922412 0.82 NPC1 (0.45) ACHEBCHECYP3A4NPC1RAB9A
SCHEMBL14240280 0.81 ACHE (0.41) ACHEBCHECYP3A4GSK3BDYRK1A
SCHEMBL14239423 0.79 NPC1 (0.39) ACHEBCHECYP3A4TGFBR1GSK3B
SCHEMBL6921954 0.79 POLB (0.46) ACHEBCHEHCRTR1NPC1RAB9A
SCHEMBL6920767 0.79 NPC1 (0.44) ACHEBCHECYP3A4NPC1RAB9A

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 ACHE 479/4885BCHE 483/4885CYP3A4 4447/4885

“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.