SCHEMBL3440277

SCHEMBL3440277

CCN(CC)CC1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ MAPT P10636 8/20 0.55
▸ SIRT6 Q8N6T7 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.52
▸ LMNA P02545 2/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ADRB1 P08588 1/20 0.49

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
SCHEMBL29045758 0.86 MEN1 (0.55) MEN1KMT2AMAPTSIRT6POLB
SCHEMBL25189631 0.82 MEN1 (0.60) MEN1KMT2AMAPTSIRT6POLB
SCHEMBL3440383 0.81 ALDH1A1 (0.47) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL3440222 0.81 MAPT (0.65) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL7293302 0.81 SIRT6 (0.52) MEN1KMT2AMAPTSIRT6POLB
Hydrochloric Acid SCHEMBL7289172 0.80 MAPT (0.56) MEN1KMT2AMAPTSIRT6POLB
SCHEMBL25189146 0.80 MEN1 (0.57) MEN1KMT2AMAPTSIRT6POLB
SCHEMBL25175455 0.79 MAPT (0.55) MEN1KMT2AMAPTSIRT6POLB
SCHEMBL3440122 0.79 MAPT (0.50) MEN1KMT2AMAPTPOLBHRH3
SCHEMBL27832 0.79 SIRT6 (0.59) MEN1KMT2AMAPTSIRT6POLB

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 MEN1 434/4885KMT2A 4086/4885MAPT 3687/4885
US-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 MEN1 720/4885KMT2A 4390/4885MAPT 3546/4885
US-20110294775-A1 NOVEL COMPOUNDS TRPV1, OPRL1, TRPA1 MEN1 1870/4885KMT2A 3075/4885MAPT 2138/4885

“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.

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