SCHEMBL421771

SCHEMBL421771

N#Cc1ccc(N2CCCN(C3CCC3)CCC2=O)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
HTT P42858 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
VCAM1 P19320 1/20 0.39
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
MGLL Q99685 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL419126 0.84 L3MBTL1 (0.51) MAPTMAPK1KDM4EGAAHTT
SCHEMBL14335232 0.78 MAPT (0.54) MAPTMAPK1TDP1GAAHTT
SCHEMBL28492945 0.75 MAPT (0.51) MAPTMAPK1TDP1GAAHTT
SCHEMBL28866946 0.72 MAPT (0.49) MAPTMAPK1TDP1KDM4EGAA
SCHEMBL14335725 0.71 MAPT (0.51) MAPTMAPK1TDP1GAAHTT
SCHEMBL420312 0.71 PNMT (0.38) MAPTKDM4EGAAHTTALDH1A1
SCHEMBL14376992 0.71 MAPT (0.51) MAPTMAPK1TDP1KDM4EGAA
SCHEMBL14335724 0.70 MAPT (0.50) MAPTMAPK1TDP1GAAHTT
SCHEMBL23850391 0.69 ALDH1A1 (0.65) MAPTMAPK1TDP1GAAHTT
SCHEMBL31587859 0.69 ALDH1A1 (0.65) MAPTMAPK1TDP1GAAHTT

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 25 patents — showing the first 20. 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-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
EP-2475662-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2012-07-18 EP disclosed
EP-2475664-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2012-07-18 EP disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 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
WO-2011031816-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
WO-2011031816-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
WO-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
WO-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 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
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 US 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 (4 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-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof HRH3, HRH4, HRH2 MAPT 951/4885MAPK1 2369/4885TDP1 3445/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAPT 951/4885MAPK1 2369/4885TDP1 3445/4885
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAPT 738/4885MAPK1 2375/4885TDP1 3437/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAPT 738/4885MAPK1 2375/4885TDP1 3437/4885

“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.