SCHEMBL421669

SCHEMBL421669

c1ncc(N2CCc3nc4ccc(-c5ccc6[nH]ccc6c5)cc4n3CC2)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
NPC1 O15118 1/20 0.34
MAP3K11 Q16584 2/20 0.34
CYP17A1 P05093 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CHRNA7 P36544 3/20 0.34
KCNH2 Q12809 3/20 0.34
FYN P06241 1/20 0.33
METAP2 P50579 1/20 0.33
LRRK2 Q5S007 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
PIP4K2A P48426 1/20 0.32
PIP4K2B P78356 1/20 0.32
MELK Q14680 1/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL419886 0.82 HRH4 (0.35) CYP11B1CYP11B2
SCHEMBL419878 0.82 ASIC3 (0.38) METAP2
SCHEMBL421661 0.82 NPC1 (0.36) CSNK1DMAPK11MAPK14NPC1CYP17A1
SCHEMBL421001 0.78 ALK (0.42) NPC1CYP17A1CCNCCDK8CLK1
SCHEMBL421660 0.76 CHRNA7 (0.37) NPC1CYP17A1CYP11B1CYP11B2CHRNA7
SCHEMBL7886660 0.74 DRD2 (0.39) MAPK14MAP3K11CYP17A1CYP11B1CYP11B2
SCHEMBL420999 0.73 NPC1 (0.36) CSNK1DMAPK11MAPK14NPC1CYP17A1
SCHEMBL419627 0.73 CHRNA7 (0.40) CSNK1DMAPK11MAPK14CHRNA7KCNH2
SCHEMBL419107 0.73 PTGS2 (0.37) NPC1CHRNA7KCNH2METAP2MELK
SCHEMBL420998 0.67 MAPT (0.41) NPC1CYP17A1CYP11B1CYP11B2CHRNA7

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 CSNK1D 1844/4885MAPK11 2395/4885MAPK14 2931/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 CSNK1D 1844/4885MAPK11 2395/4885MAPK14 2931/4885

“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.