SCHEMBL419617

SCHEMBL419617

COc1ncc(-c2ccc3nc4n(c3c2)CCN(C2CCC2)CC4)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 3/20 0.38
TLR9 Q9NR96 3/20 0.38
TLR8 Q9NR97 3/20 0.38
TLR7 Q9NYK1 3/20 0.38
TLR4 O00206 1/20 0.38
FTO Q9C0B1 3/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
HRH3 Q9Y5N1 6/20 0.36
KCNH2 Q12809 4/20 0.36
ADRA1A P35348 1/20 0.36
ALOX5AP P20292 1/20 0.36
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
POLB P06746 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
SCHEMBL7892485 0.92 MAPT (0.41) TLR9TLR8TLR7TLR4FTO
SCHEMBL10176637 0.85 HRH3 (0.42) TLR9TLR8TLR7TLR4HRH3
SCHEMBL420668 0.83 HRH3 (0.45) TLR9TLR8TLR7TLR4HRH3
SCHEMBL418979 0.83 OGFRL1 (0.41) MAT2ATLR9TLR8TLR7TLR4
SCHEMBL10176636 0.83 KDM2B (0.40) TLR9TLR8TLR7TLR4HRH3
SCHEMBL7891067 0.82 KDM2B (0.39) TLR9TLR8TLR7TLR4HRH3
SCHEMBL420018 0.81 HRH3 (0.39) MAT2ATLR9TLR7HRH3KCNH2
SCHEMBL420842 0.81 GRIN2B (0.38) TLR9TLR8TLR7TLR4HRH3
SCHEMBL420442 0.81 KDM2B (0.40) TLR9TLR8TLR7TLR4HRH3
SCHEMBL10176639 0.80 MAPT (0.39) TLR9TLR8TLR7TLR4NPC1

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 MAT2A 1292/4885TLR9 1037/4885TLR8 1434/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAT2A 1292/4885TLR9 1037/4885TLR8 1434/4885

“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.