SCHEMBL14239986

SCHEMBL14239986

CC1(C)CCc2nc3cc(-c4cnc(-c5ccccn5)o4)ccc3c(=O)n2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
NSD2 O96028 1/20 0.37
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3CA P42336 7/20 0.33
PIK3CD O00329 3/20 0.33
PIK3CB P42338 3/20 0.33
PIK3CG P48736 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP3A4 P08684 1/20 0.33
TGFBR1 P36897 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL14239987 0.93 RAB9A (0.38) RAB9ANPC1TDP1NSD2ALDH1A1
SCHEMBL14239850 0.88 GUSB (0.39) RAB9ANPC1TDP1NSD2ALDH1A1
SCHEMBL6922413 0.87 NPC1 (0.43) RAB9ANPC1TDP1NSD2ALDH1A1
SCHEMBL14239415 0.86 RAB9A (0.41) RAB9ANPC1TDP1NSD2ALDH1A1
SCHEMBL14239417 0.85 RAB9A (0.41) RAB9ANPC1TDP1NSD2ALDH1A1
SCHEMBL14239413 0.85 NPC1 (0.42) RAB9ANPC1TDP1NSD2ALDH1A1
SCHEMBL15834989 0.84 RAB9A (0.40) RAB9ANPC1TDP1NSD2ALDH1A1
SCHEMBL14239943 0.84 RAB9A (0.42) RAB9ANPC1TDP1NSD2ALDH1A1
SCHEMBL14238889 0.84 RAB9A (0.42) RAB9ANPC1TDP1NSD2ALDH1A1
SCHEMBL14239971 0.83 CXCR1 (0.40) RAB9ANPC1TDP1NSD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2020-05-05 US disclosed
US-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-05-09 US disclosed
US-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2019-02-05 US disclosed
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 US disclosed
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 US disclosed
US-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 US disclosed
US-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 US disclosed
US-9260452-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-02-16 US disclosed
US-9260452-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-02-16 US disclosed
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-06-26 US disclosed
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-06-26 US disclosed
WO-2012170845-A2 METABOTROPIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF HEFFERNAN MICHELE L R (US) 2012-12-13 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 (5 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-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 RAB9A 3289/4885NPC1 1799/4885TDP1 3830/4885
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 RAB9A 3289/4885NPC1 1799/4885TDP1 3830/4885
US-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 RAB9A 3289/4885NPC1 1799/4885TDP1 3830/4885
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 RAB9A 3289/4885NPC1 1799/4885TDP1 3830/4885
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 RAB9A 3436/4885NPC1 1920/4885TDP1 3726/4885

“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.