SCHEMBL3440293

SCHEMBL3440293

CN(CCN1CCN(c2ccncc2)CC1)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.52
HRH3 Q9Y5N1 3/20 0.52
DRD2 P14416 2/20 0.49
HTR1A P08908 1/20 0.49
HRH2 P25021 2/20 0.48
SIGMAR1 Q99720 7/20 0.48
HTR6 P50406 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL786054 0.80 ACHE (0.47) DRD2
SCHEMBL13306955 0.78 SIGMAR1 (0.73) HRH3SIGMAR1
SCHEMBL792219 0.77 SIGMAR1 (0.71) HRH3SIGMAR1
Hydrochloric Acid SCHEMBL8694185 0.76 SIGMAR1 (0.69) HRH3SIGMAR1
SCHEMBL12261943 0.75 DRD4 (0.77) HRH1HRH3DRD2SIGMAR1
SCHEMBL14569693 0.74 SIGMAR1 (0.51) SIGMAR1HTR6
SCHEMBL8636247 0.73 DPP7 (0.61) HRH1HRH3DRD2HTR1AHRH2
SCHEMBL8632726 0.73 KHK (0.44) HRH1HRH3HRH2MAPT
SCHEMBL7343721 0.72 MAOB (0.54) SIGMAR1
SCHEMBL14569800 0.72 SIGMAR1 (0.49) SIGMAR1HTR6

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 HRH1 355/4885HRH3 346/4885DRD2 45/4885
US-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 HRH1 415/4885HRH3 380/4885DRD2 25/4885
US-20110294775-A1 NOVEL COMPOUNDS TRPV1, OPRL1, TRPA1 HRH1 25/4885HRH3 44/4885DRD2 1172/4885

“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.