SCHEMBL420018

SCHEMBL420018

COc1cncc(-c2ccc3nc4n(c3c2)CCN(C2CCC2)CC4)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.39
CYP11B2 P19099 2/20 0.38
CYP11B1 P15538 1/20 0.37
MAT2A P31153 3/20 0.36
KCNH2 Q12809 4/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ADRA1A P35348 1/20 0.35
BACE1 P56817 3/20 0.35
FFAR4 Q5NUL3 2/20 0.35
TBK1 Q9UHD2 1/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL7889948 0.92 MAPT (0.39) HRH3CYP11B2CYP11B1KCNH2TLR9
SCHEMBL418979 0.86 OGFRL1 (0.41) HRH3MAT2AKCNH2TLR9TLR7
SCHEMBL421257 0.83 CYP11B1 (0.42) HRH3CYP11B2CYP11B1TLR9TLR7
SCHEMBL16298003 0.82 HRH3 (0.37) HRH3MAT2ATLR9TLR7NPC1
SCHEMBL421119 0.82 DYRK1A (0.40) HRH3CYP11B2CYP11B1TLR9TLR7
SCHEMBL421059 0.82 HRH3 (0.41) HRH3CYP11B2KCNH2TLR9TLR7
SCHEMBL419617 0.81 MAT2A (0.38) HRH3MAT2AKCNH2TLR9TLR7
SCHEMBL421138 0.80 HRH3 (0.44) HRH3KCNH2TLR9TLR7ADRA1A
SCHEMBL10176910 0.79 MAPT (0.41) HRH3CYP11B2CYP11B1KCNH2TLR9
SCHEMBL420668 0.79 HRH3 (0.45) HRH3CYP11B2CYP11B1KCNH2TLR9

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 1/4885CYP11B2 3139/4885CYP11B1 3789/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HRH3 1/4885CYP11B2 3139/4885CYP11B1 3789/4885

“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.