SCHEMBL14239408

SCHEMBL14239408

CC1(C)CCc2nc3cc(Nc4ccccn4)ccc3c(=O)n2C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
TDP1 Q9NUW8 1/20 0.50
NSD2 O96028 1/20 0.48
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIK3CA P42336 1/20 0.41
PARP14 Q460N5 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.36
APP P05067 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
SCHEMBL14240250 0.89 RAB9A (0.54) RAB9ANPC1TDP1NSD2ALDH1A1
SCHEMBL14238844 0.85 NPC1 (0.60) RAB9ANPC1TDP1NSD2ALDH1A1
SCHEMBL14238944 0.83 RAB9A (0.73) RAB9ANPC1TDP1NSD2ALDH1A1
SCHEMBL14239384 0.82 MAPK1 (0.41) RAB9ANPC1ALDH1A1MAPK1LMNA
SCHEMBL6922413 0.81 NPC1 (0.43) RAB9ANPC1TDP1NSD2ALDH1A1
SCHEMBL14239413 0.79 NPC1 (0.42) RAB9ANPC1TDP1NSD2ALDH1A1
SCHEMBL9994567 0.78 NPC1 (0.41) RAB9ANPC1TDP1NSD2ALDH1A1
SCHEMBL14239409 0.78 NPC1 (0.43) RAB9ANPC1TDP1NSD2ALDH1A1
SCHEMBL14239415 0.78 RAB9A (0.41) RAB9ANPC1TDP1NSD2ALDH1A1
SCHEMBL6923280 0.78 NPC1 (0.41) 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 8 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-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-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.