SCHEMBL6921994

SCHEMBL6921994

CC1Cn2c(nc3cc(-c4ccccn4)ccc3c2=O)CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.40
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TGFBR1 P36897 1/20 0.36
NSD2 O96028 1/20 0.36
GHSR Q92847 1/20 0.35
HTR2B P41595 1/20 0.35
NPY5R Q15761 1/20 0.35
CACNA2D1 P54289 1/20 0.34
DHODH Q02127 1/20 0.34
PRMT5 O14744 2/20 0.34
CTSD P07339 2/20 0.34
WDR77 Q9BQA1 1/20 0.34
SCN9A Q15858 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL6920430 0.84 CYP3A4 (0.40) METAP2CYP3A4MAPTNPC1RAB9A
SCHEMBL6920486 0.82 NPC1 (0.41) METAP2CYP3A4MAPTNPC1RAB9A
SCHEMBL6921502 0.81 CYP3A4 (0.40) METAP2CYP3A4MAPTNPC1RAB9A
SCHEMBL6921941 0.81 GRM2 (0.40) METAP2CYP3A4NPC1RAB9ACACNA2D1
SCHEMBL6922943 0.80 NPC1 (0.40) METAP2CYP3A4NPC1RAB9ATDP1
SCHEMBL6920770 0.80 NPC1 (0.44) CYP3A4MAPTNPC1RAB9ATDP1
SCHEMBL9995122 0.80 POLB (0.44) NPC1RAB9ATDP1
SCHEMBL12059765 0.80 METAP2 (0.39) METAP2CYP3A4NPC1RAB9ATDP1
SCHEMBL6921589 0.80 NPC1 (0.42) METAP2CYP3A4MAPTNPC1RAB9A
SCHEMBL6922987 0.80 NPC1 (0.43) METAP2CYP3A4NPC1RAB9ATDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012170845-A2 METABOTROPIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF HEFFERNAN MICHELE L R (US) 2012-12-13 WO disclosed
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 METAP2 2203/4885CYP3A4 4447/4885MAPT 298/4885

“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.