SCHEMBL3440382

SCHEMBL3440382

CCN(CC)CC1CCN(c2ccc(N)cc2C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
GAA P10253 3/20 0.55
RAD52 P43351 2/20 0.55
GFER P55789 2/20 0.55
ALDH1A1 P00352 7/20 0.54
MEN1 O00255 2/20 0.54
THRB P10828 2/20 0.54
KMT2A Q03164 2/20 0.54
NR4A1 P22736 1/20 0.54
PTK2B Q14289 1/20 0.54
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
ALOX15 P16050 1/20 0.40
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
POLB P06746 1/20 0.35
PRKCI P41743 1/20 0.35
ACHE P22303 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL22403756 0.83 ALDH1A1 (0.63) MAPTGAARAD52GFERALDH1A1
SCHEMBL15372638 0.81 GAA (0.34) MAPTGAARAD52GFERALDH1A1
SCHEMBL24207010 0.80 MAPT (0.59) MAPTGAARAD52GFERALDH1A1
SCHEMBL19998345 0.80 MAPT (0.59) MAPTGAARAD52GFERALDH1A1
SCHEMBL3440383 0.79 ALDH1A1 (0.47) MAPTGAAALDH1A1MEN1THRB
SCHEMBL3440122 0.79 MAPT (0.50) MAPTGAARAD52GFERALDH1A1
SCHEMBL3440300 0.78 MAPT (0.54) MAPTGAARAD52GFERALDH1A1
SCHEMBL17264116 0.78 MAPT (0.69) MAPTGAARAD52GFERALDH1A1
SCHEMBL29990141 0.76 ALDH1A1 (0.71) MAPTGAARAD52GFERALDH1A1
SCHEMBL24865510 0.76 ALDH1A1 (0.71) MAPTGAARAD52GFERALDH1A1

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 3687/4885GAA 1182/4885RAD52 4607/4885
US-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 MAPT 3546/4885GAA 1275/4885RAD52 4365/4885
US-20110294775-A1 NOVEL COMPOUNDS TRPV1, OPRL1, TRPA1 MAPT 2138/4885GAA 2213/4885RAD52 4258/4885

“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.