SCHEMBL10033073

SCHEMBL10033073

CC(=O)c1cc(C)cc2c1OCC(=O)N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.50
PDE3A Q14432 2/20 0.50
MMP12 P39900 1/20 0.49
NR3C2 P08235 2/20 0.42
SMYD3 Q9H7B4 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 1/20 0.36
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ADRB2 P07550 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
ADRB1 P08588 1/20 0.35

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
SCHEMBL7291865 0.88 PDE3B (0.50) PDE3BPDE3AMMP12NR3C2SMYD3
SCHEMBL12594401 0.81 NR3C2 (0.42) PDE3BPDE3ANR3C2ALDH1A1MAPT
SCHEMBL20285806 0.81 NR3C2 (0.42) PDE3BPDE3AMMP12NR3C2SMYD3
SCHEMBL7350571 0.81 PDE3B (0.45) PDE3BPDE3AMMP12NR3C2SMYD3
SCHEMBL22312376 0.80 PDE3B (0.53) PDE3BPDE3AMMP12NR3C2TP53
SCHEMBL12116980 0.80 PDE3B (0.53) PDE3BPDE3AMMP12NR3C2TP53
SCHEMBL4102418 0.79 PDE3B (0.56) PDE3BPDE3AMMP12NR3C2TP53
SCHEMBL7344276 0.78 PDE3B (0.42) PDE3BPDE3AMMP12NR3C2TP53
SCHEMBL20278370 0.78 PDE3B (0.55) PDE3BPDE3AMMP12NR3C2TP53
SCHEMBL17476309 0.77 SMYD3 (0.56) MMP12SMYD3KMT2APARP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120034275-A1 POWDER FORMULATIONS FOR INHALATION, COMPRISING ENANTIOMERICALLY PURE BETA AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-8034809-B2 Enantiomerically pure beta agonists, process for the manufacture thereof and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-11 US disclosed
US-20090137578-A1 ENANTIOMERICALLY PURE BETA AGONISTS, PROCESS FOR THE MANUFACTURE THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
US-7491719-B2 Enantiomerically pure beta agonists, process for the manufacture thereof, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-17 US disclosed
US-7220742-B2 Enantiomerically pure beta agonists, process for the manufacture thereof and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-22 US disclosed
US-20070027148-A1 New enantiomerically pure beta agonists, process for the manufacture thereof, and use thereof as medicaments LUSTENBERGER PHILIPP 2007-02-01 US 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 (3 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-20090137578-A1 ENANTIOMERICALLY PURE BETA AGONISTS, PROCESS FOR THE MANUFACTURE THEREOF AND USE THEREOF AS MEDICAMENTS ADRB1, ADRB2, ADRA1D PDE3B 125/4885PDE3A 90/4885MMP12 4744/4885
US-20070027148-A1 New enantiomerically pure beta agonists, process for the manufacture thereof, and use thereof as medicaments ADRB1, ADRB2, ADRA1D PDE3B 129/4885PDE3A 109/4885MMP12 4765/4885
US-20120034275-A1 POWDER FORMULATIONS FOR INHALATION, COMPRISING ENANTIOMERICALLY PURE BETA AGONISTS ADRB1, ADRB2, ADRB3 PDE3B 86/4885PDE3A 78/4885MMP12 4596/4885

“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.