SCHEMBL419338

SCHEMBL419338

C1=CC(N2CCc3nc4cc(Oc5cnccn5)ccc4n3CC2)=C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
LTA4H P09960 1/20 0.36
PTGS2 P35354 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KDM4E B2RXH2 1/20 0.33
GCK P35557 1/20 0.32
RAB9A P51151 2/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
SCN9A Q15858 1/20 0.31
NPC1 O15118 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL418313 0.92 HRH3 (0.39) HRH3LTA4HPTGS2SLC6A2SLC6A4
SCHEMBL422800 0.81 DHFR (0.35) SLC6A2SLC6A4SLC6A3RAB9AMAPK1
SCHEMBL422605 0.80 TP53 (0.33) KDM4ERAB9AMAPK1KMT2AMEN1
SCHEMBL420449 0.79 GPR84 (0.32)
SCHEMBL419337 0.78 HRH3 (0.63) HRH3LTA4HPTGS2KDM4ERAB9A
SCHEMBL3090791 0.78 HRH3 (0.61) HRH3LTA4HPTGS2SLC6A2SLC6A4
SCHEMBL421060 0.75 PIK3CD (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL422621 0.74 PIK3CA (0.38) RAB9AMAPK1KMT2AMEN1NPC1
SCHEMBL420460 0.74 KDM4E (0.38) KDM4ERAB9AMAPK1KMT2AMEN1
SCHEMBL420411 0.74 RAB9A (0.40) RAB9AMAPK1KMT2AMEN1NPC1

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 HRH3 1/4885LTA4H 694/4885PTGS2 2071/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HRH3 1/4885LTA4H 694/4885PTGS2 2071/4885

“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.