SCHEMBL419594

SCHEMBL419594

CC(C)(C)N1CCc2nc3ccc(-c4ccc(C#N)cc4)cc3n2CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.42
GRM2 Q14416 1/20 0.36
HRH4 Q9H3N8 3/20 0.36
KIF11 P52732 1/20 0.35
MAP4K4 O95819 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
MAPKAPK2 P49137 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
TACR3 P29371 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CHEK1 O14757 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
PGR P06401 1/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
KCNH2 Q12809 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
SCN7A Q01118 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
SCHEMBL421530 0.91 GRM2 (0.39) SCN9AGRM2HRH4KIF11HRH3
SCHEMBL10176633 0.86 SMN1; SMN2 (0.37) GRM2MAPKAPK2PIK3CDPIK3CA
SCHEMBL421191 0.82 HRH4 (0.38) GRM2HRH4MAP4K4HRH3MAPKAPK2
SCHEMBL420030 0.79 HRH3 (0.42) SCN9AGRM2HRH4MAP4K4HRH3
SCHEMBL421676 0.79 MAPK1 (0.40) GRM2HRH4HRH3TACR3CHEK1
SCHEMBL419641 0.78 HRH4 (0.37) GRM2HRH4MAP4K4HRH3SCN10A
SCHEMBL419640 0.78 HRH3 (0.42) GRM2HRH3KCNH2
SCHEMBL420920 0.78 HRH3 (0.42) HRH3KCNH2
SCHEMBL417697 0.78 IRAK4 (0.41) GRM2HRH4HRH3KCNH2HTR1A
SCHEMBL422444 0.78 HRH4 (0.35) GRM2HRH4MAP4K4HRH3MAPKAPK2

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-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
EP-2396327-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2011-12-21 EP disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 WO disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 WO disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 US disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 US disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 US 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 (2 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-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 SCN9A 1210/4885GRM2 65/4885HRH4 2/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 SCN9A 1210/4885GRM2 65/4885HRH4 2/4885

“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.