SCHEMBL632392

SCHEMBL632392

CC(=O)c1cc(OCc2ccccc2)cc2[nH]c(=O)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.52
CTSV O60911 3/20 0.52
CTSL P07711 3/20 0.52
ACHE P22303 1/20 0.51
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
MDH2 P40926 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RHEB Q15382 1/20 0.46
MCHR1 Q99705 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOA P21397 2/20 0.45
NSD2 O96028 1/20 0.43
ABL1 P00519 1/20 0.43
PPARG P37231 1/20 0.43
RIN1 Q13671 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL5727218 0.92 CTSV (0.46) MAOBCTSVCTSLACHEALDH1A1
SCHEMBL632222 0.86 CTSV (0.50) MAOBCTSVCTSLACHEALDH1A1
SCHEMBL17023377 0.78 MDH2 (0.72) MAOBCTSVCTSLALDH1A1HPGD
SCHEMBL632016 0.77 MAOB (0.52) MAOBCTSVCTSLALDH1A1HPGD
SCHEMBL2795363 0.76 CTSV (0.65) MAOBCTSVCTSLACHEALDH1A1
SCHEMBL98338 0.74 MAPT (0.54) MAOBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29498305 0.74 MAPT (0.54) MAOBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6824331 0.74 MAOB (0.56) MAOBCTSVCTSLALDH1A1HPGD
SCHEMBL632836 0.74 CTSV (0.50) MAOBCTSVCTSLACHEALDH1A1
SCHEMBL7654099 0.73 MAOB (0.79) MAOBCTSVCTSLACHEALDH1A1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794154-B1 HETEROARYL COMPOUNDS FOR USE AS BETAMIMETICS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2013-02-27 EP disclosed
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
US-20100297028-A1 MEDICAMENT COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-25 US disclosed
US-7632834-B2 Long acting beta-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-15 US disclosed
EP-1986644-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES Boehringer Ingelheim International GmbH (DE) 2008-11-05 EP disclosed
US-7429583-B2 Betamimetics for the treatment of respiratory complaints BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-30 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
CN-1906180-A New long acting beta-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INT (DE) 2007-01-31 CN 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
WO-2006032627-A1 HETEROARYL COMPOUNDS FOR USE AS BETAMIMETICS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-30 WO disclosed
US-20060063817-A1 New betamimetics for the treatment of respiratory complaints BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-23 US disclosed
US-20050277632-A1 Beta agonists for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 US disclosed
WO-2005110990-A1 HYDROXY-SUBSTITUTED BENZO-CONDENSED HETEROCYCLES FOR USE AS BETA AGONISTS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO 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 (5 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-20050227975-A1 New long acting beta-2-agonists and their use as medicaments ADRB2, ADRA2A, ADRB1 MAOB 1193/4885CTSV 2454/4885CTSL 1866/4885
US-20060063817-A1 New betamimetics for the treatment of respiratory complaints CHRM1, ADRB1, ADRA1B MAOB 98/4885CTSV 4074/4885CTSL 1773/4885
US-20050277632-A1 Beta agonists for the treatment of respiratory diseases ADRB1, ADRB2, ADRA1B MAOB 283/4885CTSV 3944/4885CTSL 2556/4885
US-20080194550-A1 LONG ACTING BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS ADRB2, ADRB1, CHRM1 MAOB 1288/4885CTSV 2623/4885CTSL 2632/4885
US-20100297028-A1 MEDICAMENT COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES CHRM1, CHRM2, MTNR1B MAOB 225/4885CTSV 1135/4885CTSL 348/4885

“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.