SCHEMBL6896438

SCHEMBL6896438

O=C1C2CC(CN1c1ccc(Cl)cc1[N+](=O)[O-])N(C1CCC1)C2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 5/20 0.47
MAPK1 P28482 4/20 0.47
LMNA P02545 5/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 5/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
HPGD P15428 1/20 0.37
VCAM1 P19320 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 2/20 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
SCHEMBL10298797 0.74 MAPK1 (0.51) ALDH1A1L3MBTL1MAPK1LMNAKDM4E
SCHEMBL419126 0.71 L3MBTL1 (0.51) ALDH1A1L3MBTL1MAPK1LMNAKDM4E
SCHEMBL10298741 0.70 L3MBTL1 (0.51) ALDH1A1L3MBTL1MAPK1LMNAKDM4E
SCHEMBL23466602 0.68 SMN1; SMN2 (0.67) ALDH1A1L3MBTL1MAPK1LMNAKDM4E
SCHEMBL29758010 0.68 SMN1; SMN2 (0.67) ALDH1A1L3MBTL1MAPK1LMNAKDM4E
SCHEMBL14377006 0.67 MAPK1 (0.71) ALDH1A1L3MBTL1MAPK1LMNAKDM4E
SCHEMBL10009924 0.66 MAPK1 (0.44) ALDH1A1L3MBTL1MAPK1LMNAKDM4E
SCHEMBL23486528 0.65 ALDH1A1 (1.00) ALDH1A1L3MBTL1MAPK1LMNAKDM4E
SCHEMBL23486813 0.65 MAPK1 (0.57) ALDH1A1L3MBTL1MAPK1LMNAKDM4E
SCHEMBL3485682 0.64 MAPK1 (1.00) ALDH1A1L3MBTL1MAPK1LMNAMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 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-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 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 (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-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof HRH3, HRH4, HRH2 ALDH1A1 2544/4885L3MBTL1 2110/4885MAPK1 2369/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 ALDH1A1 2544/4885L3MBTL1 2110/4885MAPK1 2369/4885

“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.