SCHEMBL14239384

SCHEMBL14239384

CNc1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 3/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2053715 0.82 RAB9A (0.44) RAB9ANPC1LMNAALDH1A1L3MBTL1
SCHEMBL14239083 0.82 ALDH1A1 (0.49) RAB9ANPC1LMNAALDH1A1L3MBTL1
SCHEMBL14239082 0.82 LMNA (0.42) MAPK1RAB9ANPC1LMNAALDH1A1
SCHEMBL14239408 0.82 RAB9A (0.50) MAPK1RAB9ANPC1LMNAPOLB
SCHEMBL14239350 0.82 RAB9A (0.50) MAPK1RAB9ANPC1LMNAPOLB
SCHEMBL14238844 0.81 NPC1 (0.60) MAPK1RAB9ANPC1LMNAPOLB
SCHEMBL14239089 0.81 KDM4E (0.48) RAB9ANPC1LMNAALDH1A1L3MBTL1
SCHEMBL14239385 0.81 LMNA (0.38) MAPK1RAB9ANPC1LMNAALDH1A1
SCHEMBL14239071 0.81 LMNA (0.38) MAPK1RAB9ANPC1LMNAALDH1A1
SCHEMBL14239081 0.81 CYP1A1 (0.47) RAB9ANPC1POLBALDH1A1

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-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-20160251359-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2016-09-01 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 (7 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 MAPK1 3542/4885RAB9A 3289/4885NPC1 1799/4885
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 MAPK1 3542/4885RAB9A 3289/4885NPC1 1799/4885
US-20160251359-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 MAPK1 3378/4885RAB9A 3436/4885NPC1 1920/4885
US-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 MAPK1 3542/4885RAB9A 3289/4885NPC1 1799/4885
US-20200079778-A9 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 MAPK1 3542/4885RAB9A 3289/4885NPC1 1799/4885
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 MAPK1 3542/4885RAB9A 3289/4885NPC1 1799/4885
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 MAPK1 3378/4885RAB9A 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.