SCHEMBL6922083

SCHEMBL6922083

CC1CCCCn2c1nc1cc(-c3ccccn3)ccc1c2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.40
BCHE P06276 1/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
NSD2 O96028 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.38
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
MAPK10 P53779 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
TGFBR1 P36897 1/20 0.36
METAP2 P50579 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6922480 0.93 ACHE (0.44) ACHEBCHERAB9ANPC1NSD2
SCHEMBL6922491 0.84 ACHE (0.43) ACHEBCHERAB9ANPC1NSD2
SCHEMBL6920767 0.82 NPC1 (0.44) ACHEBCHERAB9ANPC1NSD2
SCHEMBL2052700 0.80 POLB (0.44) ACHEBCHERAB9ANPC1NSD2
SCHEMBL12059210 0.80 ACHE (0.43) ACHEBCHERAB9ANPC1NSD2
SCHEMBL6921392 0.80 CYP3A4 (0.42) RAB9ANPC1NSD2TDP1CYP3A4
SCHEMBL14239041 0.79 METAP2 (0.40) ACHEBCHERAB9ANPC1NSD2
SCHEMBL12059328 0.79 MEN1 (0.60) ACHEBCHERAB9ANPC1NSD2
SCHEMBL6920770 0.78 NPC1 (0.44) ACHEBCHERAB9ANPC1NSD2
SCHEMBL14240280 0.78 ACHE (0.41) ACHEBCHERAB9ANPC1TDP1

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 483/4885RAB9A 1387/4885

“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.