SCHEMBL422695

SCHEMBL422695

N#Cc1ccc(CNc2ccc3c(c2)nc2n3CCN(C3=CC=C3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.39
HRH4 Q9H3N8 2/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 1/20 0.36
CCNT1 O60563 3/20 0.35
CDK9 P50750 3/20 0.35
LRRK2 Q5S007 1/20 0.35
TP53 P04637 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
CACNA1B Q00975 2/20 0.34
GHSR Q92847 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
CACNA1H O95180 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
SCHEMBL419837 0.93 HRH4 (0.38) GRM2HRH4CCNT1CDK9LRRK2
SCHEMBL417644 0.84 GRM2 (0.38) GRM2RAB9AKDM4EALDH1A1TP53
SCHEMBL422755 0.82 HRH4 (0.39) GRM2HRH4RAB9AMEN1KMT2A
SCHEMBL421682 0.81 CYP3A4 (0.40) GRM2KDM4ETP53
SCHEMBL420245 0.80 PDE2A (0.41) GRM2HRH4KDM4EALDH1A1HSD17B10
SCHEMBL422694 0.80 MAPT (0.44) GRM2NPC1RAB9AKDM4EALDH1A1
SCHEMBL419888 0.78 HRH3 (0.36) GRM2CDK9LRRK2
SCHEMBL420956 0.78 GRM2 (0.35) GRM2KDM4ETP53MEN1KMT2A
SCHEMBL419641 0.76 HRH4 (0.37) GRM2HRH4ALDH1A1MEN1KMT2A
SCHEMBL417387 0.76 SCN7A (0.44) GRM2KDM4E

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 GRM2 65/4885HRH4 2/4885NPC1 1876/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 GRM2 65/4885HRH4 2/4885NPC1 1876/4885

“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.