SCHEMBL419641

SCHEMBL419641

N#Cc1ccc(-c2ccc3nc4n(c3c2)CCN(C2=CC=C2)CC4)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.37
GRM2 Q14416 1/20 0.35
HRH3 Q9Y5N1 4/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
MAP4K4 O95819 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
CHEK1 O14757 1/20 0.32
TACR3 P29371 1/20 0.32
SSTR2 P30874 1/20 0.32
PGR P06401 1/20 0.31
HTR6 P50406 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
SCN7A Q01118 1/20 0.31
SLC6A7 Q99884 1/20 0.31

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
SCHEMBL422755 0.91 HRH4 (0.39) HRH4GRM2HRH3HTR1AADRA2A
SCHEMBL419888 0.91 HRH3 (0.36) GRM2HRH3MAP4K4CLK4
SCHEMBL420215 0.89 CYP11B2 (0.39) HRH3MAP4K4CHEK1
SCHEMBL418640 0.85 CYP11B1 (0.39) SCN10A
SCHEMBL420443 0.85 AAK1 (0.38) MAP4K4HTR6CLK4
SCHEMBL420295 0.84 MAP4K1 (0.39) HRH4HRH3HTR1AADRA2AADRA2C
SCHEMBL417644 0.84 GRM2 (0.38) GRM2HRH3MEN1ALDH1A1KMT2A
SCHEMBL421676 0.83 MAPK1 (0.40) HRH4GRM2HRH3HTR1ACHEK1
SCHEMBL422759 0.83 NOS3 (0.31) HRH3
SCHEMBL419837 0.82 HRH4 (0.38) HRH4GRM2EGLN2

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 6 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-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
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

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 HRH4 2/4885GRM2 65/4885HRH3 1/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HRH4 2/4885GRM2 65/4885HRH3 1/4885

“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.