SCHEMBL5347338

SCHEMBL5347338

CCOC(O)C(=O)c1ccc(OCc2ccccc2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.52
MAOA P21397 1/20 0.50
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47
PARP15 Q460N3 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PPARG P37231 1/20 0.47
FFAR1 O14842 3/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
NOX1 Q9Y5S8 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44

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
SCHEMBL2997270 0.80 MAOB (0.62) MAOBMAOAPARP15PARP10MRGPRX4
SCHEMBL1555449 0.79 MAOB (0.79) MAOBMAOAPARP15PARP10
Hydrochloric Acid SCHEMBL9015457 0.79 MAOB (0.61) MAOBMAOAPARP15PARP10MRGPRX4
SCHEMBL27683488 0.79 MAOB (0.61) MAOBMAOAPARP15PARP10MRGPRX4
SCHEMBL5894373 0.78 L3MBTL1 (0.44) MAOBPPARDPPARAPPARGFFAR1
SCHEMBL176858 0.77 MAOB (0.59) MAOBMAOAPARP15PARP10MRGPRX4
SCHEMBL9015450 0.77 MAOB (0.59) MAOBMAOAPARP15PARP10MRGPRX4
SCHEMBL2989798 0.76 MAOB (0.57) MAOBMAOAPARP15PARP10MRGPRX4
SCHEMBL7128516 0.75 MAOB (0.51) MAOBMAOAPPARDPARP15PARP10
SCHEMBL6906563 0.75 FFAR1 (0.49) MAOBPPARDPPARAPPARGFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214698-B2 Beta-agonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-05-08 US disclosed
US-20060173061-A1 New beta-agonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-03 US disclosed
EP-1558583-A1 NOVEL PHENYLETHANOLAMINE DERIVATIVES AND THE USE OF THE SAME AS BETA-3-AGONISTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-08-03 EP disclosed
US-20040127733-A1 New beta-agonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-01 US disclosed
WO-2004039784-A1 NOVEL PHENYLETHANOLAMINE DERIVATIVES AND THE USE OF THE SAME AS BETA-3-AGONISTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 WO disclosed
EP-0008653-B2 N-substituted benzimidazoles, processes for their preparation and medicines containing them C.H. BOEHRINGER SOHN (DE) 1988-05-04 EP disclosed
US-4647563-A ANTISPAMODIC AGENTS, MUSCLE RELAXANTS, ANTIALLERGENS HYPOTENSIVE AGENTS BOEHRINGER INGELHEIM KG (DE) 1987-03-03 US disclosed
US-4581367-A BRONCHOSPASMOLYTICS, ANTIALLERGENS, HYPOTENSIVE AGENTS BOEHRINGER INGELHEIM KG (DE) 1986-04-08 US disclosed
US-4378361-A BRONCHODILATOR, MUSCLE RELAXANTS, ANTIALLERGENS, AND HYPOTENSIVE AGENT BOEHRINGER INGELHEIM KG (DE) 1983-03-29 US disclosed
EP-0008653-B1 N-substituted benzimidazoles, processes for their preparation and medicines containing them C.H. BOEHRINGER SOHN (DE) 1982-06-16 EP disclosed
EP-0008653-A1 N-substituted benzimidazoles, processes for their preparation and medicines containing them C.H. BOEHRINGER SOHN (DE) 1980-03-19 EP 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 (2 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-20060173061-A1 New beta-agonists, processes for preparing them and their use as pharmaceutical compositions ADRB1, ADRB2, ADRA1A MAOB 484/4885MAOA 522/4885PPARD 650/4885
US-20040127733-A1 New beta-agonists, processes for preparing them and their use as pharmaceutical compositions ADRB1, ADRA1A, ADRA1D MAOB 519/4885MAOA 548/4885PPARD 680/4885

“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.