SCHEMBL631267

SCHEMBL631267

CC(C)(CCCl)N=Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
G6PC1 P35575 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NOX1 Q9Y5S8 1/20 0.33
GAA P10253 3/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
PLA2G7 Q13093 1/20 0.33
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32

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
SCHEMBL631266 1.00 L3MBTL1 (0.40) L3MBTL1LMNAALDH1A1CYP3A4CYP2C9
SCHEMBL10613674 0.77 GAA (0.50) L3MBTL1LMNAALDH1A1CYP3A4CYP2C9
SCHEMBL10613679 0.77 GAA (0.50) L3MBTL1LMNAALDH1A1CYP3A4CYP2C9
SCHEMBL19676040 0.77 LMNA (0.43) L3MBTL1LMNAALDH1A1CYP3A4CYP2C9
SCHEMBL5360067 0.75 SLC22A1 (0.39) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL5360061 0.75 SLC22A1 (0.39) LMNAALDH1A1MEN1KMT2AGAA
SCHEMBL19490484 0.74 LMNA (0.40) L3MBTL1LMNAALDH1A1CYP3A4CYP2C9
SCHEMBL19676090 0.74 LMNA (0.40) L3MBTL1LMNAALDH1A1CYP3A4CYP2C9
SCHEMBL4024136 0.73 LMNA (0.52) L3MBTL1LMNAALDH1A1CYP3A4CYP2C9
SCHEMBL12593473 0.73 LMNA (0.52) L3MBTL1LMNAALDH1A1CYP3A4CYP2C9

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 26 patents — showing the first 20. 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-20100222336-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20090324510-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 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-2057152-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION Boehringer Ingelheim International GmbH (DE) 2009-05-13 EP disclosed
EP-2051714-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES Boehringer Ingelheim International GmbH (DE) 2009-04-29 EP disclosed
US-7423036-B2 Long-acting betamimetics for the treatment of respiratory complaints BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-09 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
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
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
US-20060189607-A1 Long-acting betamimetics for the treatment of respiratory complaints BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-24 US 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
US-4558061-A Bronchospasmolytic 1-(3-methanesulfonamido-4-hydroxyphenyl)-2-[(3-(4-acyl-aminophenyl)-imidazolidin-2-one-1-yl)-alkylamino]-ethanols BOEHRINGER INGELHEIM KG (DE) 1985-12-10 US disclosed
EP-0131943-A2 Derivatives of 1-phenylimidazolidin-2-one, their preparation and their application BOEHRINGER INGELHEIM KG (DE) 1985-01-23 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 (6 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 L3MBTL1 4256/4885LMNA 1248/4885ALDH1A1 1311/4885
US-20060189607-A1 Long-acting betamimetics for the treatment of respiratory complaints ADRA1A, ADRA1D, ADRA2A L3MBTL1 1656/4885LMNA 178/4885ALDH1A1 840/4885
US-20090324510-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES NDUFA1, NDUFA6, NDUFA3 L3MBTL1 3259/4885LMNA 1604/4885ALDH1A1 189/4885
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 L3MBTL1 3874/4885LMNA 357/4885ALDH1A1 1413/4885
US-20080194550-A1 LONG ACTING BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS ADRB2, ADRB1, CHRM1 L3MBTL1 3482/4885LMNA 2871/4885ALDH1A1 1461/4885
US-20100222336-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION ADRB1, ADRA1A, ADRB2 L3MBTL1 1598/4885LMNA 1126/4885ALDH1A1 355/4885

“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.