SCHEMBL420030

SCHEMBL420030

N#Cc1ccc(-c2ccc3nc4n(c3c2)CCNCC4)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.42
HRH4 Q9H3N8 2/20 0.42
HRH2 P25021 2/20 0.39
HRH1 P35367 2/20 0.39
SCN7A Q01118 2/20 0.39
KCNH2 Q12809 2/20 0.39
SCN9A Q15858 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
HTR2A P28223 4/20 0.37
HTR2C P28335 4/20 0.37
EGLN2 Q96KS0 1/20 0.37
GRM2 Q14416 1/20 0.36
HTR2B P41595 2/20 0.36
MAP4K4 O95819 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL7886351 0.90 HRH3 (0.42) HRH3HRH4HRH2HRH1SCN7A
SCHEMBL419594 0.79 SCN9A (0.42) HRH3HRH4SCN7AKCNH2SCN9A
SCHEMBL421191 0.79 HRH4 (0.38) HRH3HRH4HTR2AHTR2CGRM2
SCHEMBL420294 0.78 HRH3 (0.37) HRH3HRH4HRH2HRH1HTR2A
SCHEMBL421676 0.78 MAPK1 (0.40) HRH3HRH4HRH1GRM2
SCHEMBL6712379 0.77 HTR2A (0.56) HRH3HRH4HRH2HRH1SCN7A
SCHEMBL419640 0.77 HRH3 (0.42) HRH3KCNH2EGLN2GRM2
SCHEMBL420920 0.77 HRH3 (0.42) HRH3KCNH2EGLN2
SCHEMBL419641 0.77 HRH4 (0.37) HRH3HRH4SCN7ACYP1A2CYP3A4
SCHEMBL421675 0.76 HRH3 (0.42) HRH3KCNH2CYP3A4

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 HRH3 1/4885HRH4 2/4885HRH2 3/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HRH3 1/4885HRH4 2/4885HRH2 3/4885

“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.