SCHEMBL421682

SCHEMBL421682

N#Cc1ccc(COc2ccc3c(c2)nc2n3CCN(C3=CC=C3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
SCN7A Q01118 1/20 0.40
KCNH2 Q12809 1/20 0.40
GRM2 Q14416 1/20 0.39
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
MCHR1 Q99705 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALOX5AP P20292 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
BRD4 O60885 1/20 0.36
TP53 P04637 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
SCHEMBL417387 0.93 SCN7A (0.44) CYP3A4SCN7AKCNH2GRM2L3MBTL1
SCHEMBL420956 0.85 GRM2 (0.35) GRM2KDM4ETP53
SCHEMBL417644 0.84 GRM2 (0.38) GRM2L3MBTL1HRH3KDM4ETP53
SCHEMBL422755 0.82 HRH4 (0.39) SCN7AKCNH2GRM2HRH3
SCHEMBL422695 0.81 GRM2 (0.39) GRM2KDM4ETP53
SCHEMBL421681 0.80 HRH3 (0.45) CYP3A4SCN7AKCNH2GRM2L3MBTL1
SCHEMBL421321 0.79 GRM2 (0.34) SCN7AKCNH2GRM2KDM4E
SCHEMBL3098179 0.78 MAOB (0.50) PRKDCMAOBMAOAHRH3
SCHEMBL419888 0.78 HRH3 (0.36) GRM2HRH3
SCHEMBL419641 0.76 HRH4 (0.37) CYP3A4SCN7AGRM2HRH3

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 CYP3A4 3530/4885SCN7A 581/4885KCNH2 678/4885

“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.