SCHEMBL14239359

SCHEMBL14239359

CC1(C)CCc2nc3cc(C#Cc4cc(F)ccc4F)ccc3c(=O)n2C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.45
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 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
SCHEMBL15835025 0.92 RAB9A (0.42) GRM5RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL14239405 0.91 RAB9A (0.42) GRM5RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL14239402 0.90 L3MBTL1 (0.41) GRM5RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL15835027 0.90 GRM5 (0.41) GRM5RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL15834982 0.88 RAB9A (0.40) GRM5RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL15835028 0.88 GRM5 (0.43) GRM5RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL15834984 0.88 GRM5 (0.39) GRM5RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL15818174 0.88 GRM5 (0.37) GRM5RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL6923281 0.87 GRM5 (0.52) GRM5
SCHEMBL15835026 0.87 GRM5 (0.39) GRM5RAB9ANPC1SMN1; SMN2L3MBTL1

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 15 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-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2020-05-05 US disclosed
US-20200079778-A9 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARMACEUTICALS INC. 2020-03-12 US disclosed
US-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-05-09 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 (6 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 GRM5 1/4885RAB9A 3289/4885NPC1 1799/4885
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 GRM5 1/4885RAB9A 3289/4885NPC1 1799/4885
US-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 GRM5 1/4885RAB9A 3289/4885NPC1 1799/4885
US-20200079778-A9 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 GRM5 1/4885RAB9A 3289/4885NPC1 1799/4885
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 GRM5 1/4885RAB9A 3289/4885NPC1 1799/4885
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 GRM5 1/4885RAB9A 3436/4885NPC1 1920/4885

“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.