SCHEMBL420165

SCHEMBL420165

O=C(c1ccc2nc3n(c2c1)CCN(C1CCC1)CC3)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 10/20 0.49
L3MBTL1 Q9Y468 9/20 0.49
HRH3 Q9Y5N1 2/20 0.48
MBTD1 Q05BQ5 4/20 0.47
TP53BP1 Q12888 2/20 0.45
L3MBTL4 Q8NA19 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL422654 0.99 L3MBTL3 (0.50) L3MBTL3L3MBTL1HRH3MBTD1TP53BP1
SCHEMBL7885322 0.92 ALDH1A1 (0.49) L3MBTL3L3MBTL1HRH3MBTD1LMNA
SCHEMBL422763 0.91 L3MBTL3 (0.50) L3MBTL3L3MBTL1HRH3LMNAHPGD
SCHEMBL422479 0.91 HRH3 (0.51) L3MBTL3L3MBTL1HRH3HPGDKDM4E
SCHEMBL419957 0.90 L3MBTL3 (0.50) L3MBTL3L3MBTL1HRH3MBTD1TP53BP1
SCHEMBL419247 0.87 HCAR3 (0.44) L3MBTL3L3MBTL1HRH3HPGDKDM4E
SCHEMBL419340 0.83 KDM2B (0.48) L3MBTL1HRH3HPGDKDM4EMEN1
SCHEMBL420929 0.82 HRH3 (0.53) L3MBTL3L3MBTL1HRH3HPGDKDM4E
SCHEMBL7881443 0.82 MEN1 (0.53) L3MBTL3L3MBTL1HRH3LMNAHPGD
SCHEMBL16297713 0.82 MAPT (0.45) L3MBTL3L3MBTL1HRH3MBTD1TP53BP1

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-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
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
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 WO 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 (1 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-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 L3MBTL3 1535/4885L3MBTL1 1600/4885HRH3 1/4885

“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.