SCHEMBL3440127

SCHEMBL3440127

CN(C)CCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.65
ALDH1A1 P00352 4/20 0.56
LMNA P02545 1/20 0.56
ALOX12 P18054 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
POLB P06746 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 2/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ATM Q13315 1/20 0.52
NPBWR1 P48145 1/20 0.49
MCHR1 Q99705 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
NPY2R P49146 1/20 0.47
CRBN Q96SW2 2/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL23117813 0.84 MAPT (0.66) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL10118638 0.81 MEN1 (0.53) MAPTALDH1A1LMNAPOLBMEN1
SCHEMBL670434 0.81 MAPT (0.69) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL3440255 0.81 MAPT (0.73) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL3440222 0.81 MAPT (0.65) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL29772095 0.80 MAPT (0.60) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL23117860 0.79 MAPT (0.66) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL26118813 0.79 MAPT (0.59) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL3440128 0.79 GRIN2D (0.41) MAPTLMNASMN1; SMN2KDM4E
SCHEMBL594446 0.78 MAPT (0.61) MAPTALDH1A1LMNAALOX12NPSR1

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 19 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
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 3687/4885ALDH1A1 279/4885LMNA 3483/4885
US-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 MAPT 3546/4885ALDH1A1 428/4885LMNA 3828/4885
US-20110294775-A1 NOVEL COMPOUNDS TRPV1, OPRL1, TRPA1 MAPT 2138/4885ALDH1A1 2740/4885LMNA 4630/4885

“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.