SCHEMBL3440420

SCHEMBL3440420

CN(C)C1CCN(c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTR7 P34969 2/20 0.47
HPN P05981 1/20 0.46
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
WDR5 P61964 1/20 0.44
THRB P10828 1/20 0.44
HTR1A P08908 1/20 0.44
BCL2A1 Q16548 1/20 0.44

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
SCHEMBL16675742 0.92 MEN1 (0.51) MAPTKDM4EMEN1KMT2AHTR7
SCHEMBL28253934 0.90 MAPT (0.52) MAPTKDM4EMEN1KMT2AHTR7
SCHEMBL10127786 0.87 MAPT (0.52) MAPTKDM4EMEN1KMT2AHTR7
SCHEMBL328338 0.85 HTR7 (0.50) MAPTKDM4EMEN1KMT2AHTR7
SCHEMBL12367107 0.84 MAPT (0.59) MAPTKDM4EMEN1KMT2AHPN
SCHEMBL3441322 0.83 MAPT (0.50) MAPTKDM4EMEN1KMT2AHTR7
SCHEMBL16934915 0.82 MAPT (0.59) MAPTKDM4EMEN1KMT2AHTR7
SCHEMBL3440216 0.82 MAPT (0.59) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL24073901 0.81 MAPT (0.57) MAPTKDM4EMEN1KMT2AHPN
SCHEMBL2259716 0.81 MAPT (0.57) MAPTKDM4EMEN1KMT2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed
EP-2061779-B1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INT (DE) 2013-11-06 EP disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
EP-2402329-A1 Analgetic phenylsulphonamides Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20110294775-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-20110294775-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
EP-2284166-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP disclosed
US-20110021488-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021488-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
WO-2009021758-A1 ARYLSULFONAMIDES HAVING AN ANALGESIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021946-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
EP-2025675-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 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 (3 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-20090137545-A1 Compounds ADORA2B, ABCB11, CYP11B1 MAPT 3687/4885KDM4E 3277/4885MEN1 434/4885
US-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 MAPT 3546/4885KDM4E 3757/4885MEN1 720/4885
US-20110294775-A1 NOVEL COMPOUNDS TRPV1, OPRL1, TRPA1 MAPT 2138/4885KDM4E 3637/4885MEN1 1870/4885

“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.