SCHEMBL417387

SCHEMBL417387

N#Cc1ccc(COc2ccc3nc4n(c3c2)CCN(C2=CC=C2)CC4)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN7A Q01118 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP3A4 P08684 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
PRKDC P78527 2/20 0.39
MAOB P27338 4/20 0.38
MAOA P21397 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALOX5AP P20292 6/20 0.37
GRM2 Q14416 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL421682 0.93 CYP3A4 (0.40) SCN7AKCNH2CYP3A4L3MBTL1PRKDC
SCHEMBL421321 0.85 GRM2 (0.34) SCN7AKCNH2GRM2KDM4E
SCHEMBL419888 0.84 HRH3 (0.36) HRH3GRM2
SCHEMBL421201 0.83 PDE4B (0.38) SCN7AKCNH2HRH3
SCHEMBL419641 0.82 HRH4 (0.37) SCN7ACYP3A4HRH3GRM2
SCHEMBL419837 0.81 HRH4 (0.38) GRM2
SCHEMBL417386 0.80 HRH3 (0.45) SCN7AKCNH2CYP3A4L3MBTL1MAOB
SCHEMBL420956 0.79 GRM2 (0.35) GRM2KDM4E
SCHEMBL3098179 0.78 MAOB (0.50) PRKDCMAOBMAOAHRH3
SCHEMBL417644 0.78 GRM2 (0.38) L3MBTL1HRH3GRM2KDM4E

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 4 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
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 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 SCN7A 581/4885KCNH2 678/4885CYP3A4 3530/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 SCN7A 581/4885KCNH2 678/4885CYP3A4 3530/4885

“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.