SCHEMBL422437

SCHEMBL422437

N#Cc1ccc(-c2ccc3nc4n(c3c2)CCN(C2CCOCC2)CC4)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.41
HRH3 Q9Y5N1 5/20 0.40
IRAK4 Q9NWZ3 8/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
HSD11B1 P28845 2/20 0.37
KDM1A O60341 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM2B Q8NHM5 1/20 0.35
GRM2 Q14416 1/20 0.34

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
SCHEMBL7892805 0.92 HRH3 (0.39) SCN9AHRH3IRAK4JAK2JAK3
SCHEMBL419640 0.91 HRH3 (0.42) HRH3IRAK4HSD11B1KCNH2KDM2B
SCHEMBL420920 0.91 HRH3 (0.42) HRH3IRAK4HSD11B1KCNH2KDM2B
SCHEMBL421675 0.90 HRH3 (0.42) HRH3HSD11B1KCNH2KDM2B
SCHEMBL417697 0.88 IRAK4 (0.41) HRH3IRAK4HSD11B1KCNH2KDM2B
SCHEMBL422754 0.82 MAPT (0.43) HRH3HSD11B1KCNH2KDM2BGRM2
SCHEMBL7886559 0.82 MAPT (0.45) HRH3HSD11B1KCNH2KDM2BGRM2
SCHEMBL419887 0.82 HRH3 (0.48) HRH3IRAK4JAK2KDM2B
SCHEMBL7880982 0.81 MAPT (0.47) HRH3HSD11B1KCNH2KDM2BGRM2
SCHEMBL420214 0.80 IRAK4 (0.44) HRH3IRAK4HSD11B1KCNH2KDM2B

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 SCN9A 1210/4885HRH3 1/4885IRAK4 2343/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 SCN9A 1210/4885HRH3 1/4885IRAK4 2343/4885

“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.