SCHEMBL631013

SCHEMBL631013

CCC1(CC)NC(=O)Oc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.43
POLB P06746 1/20 0.34
HSD11B1 P28845 2/20 0.33
HTT P42858 1/20 0.33
ALPL P05186 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALOX5 P09917 1/20 0.31
AKR1B1 P15121 1/20 0.31

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
SCHEMBL632647 0.77 PDK2 (0.37) ALPLCYP2C19ALOX5
SCHEMBL28873103 0.72 CYP2C19 (0.39) NPSR1TSHRCYP2C19
SCHEMBL13126055 0.71 PDE7A (0.33) PDE7APOLBHSD11B1HTTALPL
SCHEMBL10609425 0.70 ALDH1A1 (0.43) POLBNPSR1ALOX5AKR1B1
SCHEMBL11641147 0.69 NPSR1 (0.49) PDE7APOLBHTTNPSR1
SCHEMBL449400 0.69 ELANE (0.39) PDE7APOLBNPSR1
SCHEMBL11249528 0.69 LMNA (0.31) PDE7A
SCHEMBL4142581 0.69 LMNA (0.31) PDE7A
SCHEMBL28873111 0.68 CYP2C19 (0.35) TSHRCYP2C19
SCHEMBL7738918 0.67 ALOX5 (0.39) NPSR1TSHRALOX5

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 PDE7A 1270/4885POLB 2385/4885HSD11B1 193/4885
US-20050227975-A1 New long acting beta-2-agonists and their use as medicaments ADRB2, ADRA2A, ADRB1 PDE7A 947/4885POLB 2009/4885HSD11B1 864/4885
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 PDE7A 1178/4885POLB 2327/4885HSD11B1 978/4885
US-20080194550-A1 LONG ACTING BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS ADRB2, ADRB1, CHRM1 PDE7A 1259/4885POLB 2402/4885HSD11B1 195/4885

“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.