SCHEMBL632288

SCHEMBL632288

CC1(C)NC(=O)Oc2ccc(OCc3ccccc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.48
MAOA P21397 9/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
PKM P14618 1/20 0.45
MMP2 P08253 1/20 0.45
MMP13 P45452 1/20 0.45
NSD2 O96028 1/20 0.44
ABL1 P00519 1/20 0.44
PPARG P37231 1/20 0.44
RIN1 Q13671 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
ACHE P22303 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL28877586 0.78 MAOB (0.54) MAOBMAOAL3MBTL1PKMKCNE1
SCHEMBL4718093 0.71 MAOB (0.75) MAOBMAOAL3MBTL1MMP2MMP13
SCHEMBL2494139 0.70 MAOB (0.57) MAOBMAOAKCNE1KCNQ1ACHE
SCHEMBL9727358 0.69 MAOB (0.45) MAOBMAOAKCNE1KCNQ1ACHE
SCHEMBL281654 0.68 MAOB (0.67) MAOBMAOA
SCHEMBL30353215 0.68 MAOB (0.63) MAOBMAOAHRH3
SCHEMBL2761859 0.68 MAOB (0.67) MAOBMAOA
SCHEMBL15080158 0.68 PARP1 (0.61) MAOBMAOA
SCHEMBL15052427 0.68 PARP1 (0.61) MAOBMAOA
SCHEMBL9727671 0.68 MAOB (0.46) MAOBMAOAKCNE1KCNQ1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1901776-B1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE BOEHRINGER INGELHEIM INT (DE) 2012-02-22 EP disclosed
EP-1911749-B1 New long-working Beta-2 agonists and their use as medicine BOEHRINGER INGELHEIM INT (DE) 2010-10-27 EP disclosed
US-7632834-B2 Long acting beta-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-15 US disclosed
US-20080194550-A1 LONG ACTING BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS BOUYSSOU THIERRY 2008-08-14 US disclosed
US-7375104-B2 Long acting beta-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-20 US disclosed
EP-1911749-A1 New long-working Beta-2 agonists and their use as medicine Boehringer Ingelheim International GmbH (DE) 2008-04-16 EP disclosed
EP-1901776-A1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE Boehringer Ingelheim International GmbH (DE) 2008-03-26 EP disclosed
EP-1711480-B1 NOVEL LONG-WORKING BETA-2-AGONISTS AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2007-12-19 EP disclosed
US-20070066609-A1 Long acting beta-2-agonists and their use as medicaments BOUYSSOU THIERRY 2007-03-22 US disclosed
US-20070037781-A1 Novel combinations of medicaments for the treatment of respiratory diseases containing long-acting beta-agonists and at least one additional active ingredient BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 US disclosed
WO-2007003554-A1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE. BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-11 WO disclosed
US-7160882-B2 Long acting β-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-09 US disclosed
EP-1711480-A1 NOVEL LONG-WORKING BETA-2-AGONISTS AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-10-18 EP disclosed
US-20050227975-A1 New long acting beta-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-13 US disclosed
WO-2005070908-A1 NOVEL LONG-WORKING BETA-2-AGONISTS AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-04 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 (4 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-20070066609-A1 Long acting beta-2-agonists and their use as medicaments ADRB2, ADRB1, CHRM1 MAOB 1296/4885MAOA 1254/4885L3MBTL1 3484/4885
US-20050227975-A1 New long acting beta-2-agonists and their use as medicaments ADRB2, ADRA2A, ADRB1 MAOB 1193/4885MAOA 1018/4885L3MBTL1 4256/4885
US-20070037781-A1 Novel combinations of medicaments for the treatment of respiratory diseases containing long-acting beta-agonists and at least one additional active ingredient ADRB2, ADRA2A, ADRB1 MAOB 1158/4885MAOA 740/4885L3MBTL1 3874/4885
US-20080194550-A1 LONG ACTING BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS ADRB2, ADRB1, CHRM1 MAOB 1288/4885MAOA 1251/4885L3MBTL1 3482/4885

“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.