SCHEMBL12428824

SCHEMBL12428824

CCCCOc1cc2c(c(C(C)=O)c1)OCC(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.43
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
ALDH1A1 P00352 1/20 0.39
DRD2 P14416 3/20 0.38
ADRB2 P07550 2/20 0.38
ADRB1 P08588 1/20 0.38
HTR2A P28223 2/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
CRBN Q96SW2 1/20 0.36
NPC1 O15118 1/20 0.36
HTR1A P08908 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL12428840 0.87 MAPT (0.41) NR3C2MAPTRXFP1PDE3BPDE3A
SCHEMBL18239882 0.87 MAPT (0.43) NR3C2MAPTRXFP1PDE3BPDE3A
SCHEMBL12594401 0.82 NR3C2 (0.42) NR3C2MAPTPDE3BPDE3AMAOA
SCHEMBL20285806 0.82 NR3C2 (0.42) NR3C2MAPTRXFP1PDE3BPDE3A
SCHEMBL18239918 0.82 MAPT (0.37) NR3C2MAPTRXFP1PDE3BPDE3A
SCHEMBL560342 0.81 MAOB (0.48) NR3C2MAOAMAOBADRB2ADRB1
SCHEMBL29498303 0.81 MAOB (0.48) NR3C2MAOAMAOBADRB2ADRB1
SCHEMBL12428821 0.78 ADRB2 (0.48) ADRB2ADRB1HTR2AHTR1A
SCHEMBL12648407 0.78 DRD2 (0.40) NR3C2MAPTRXFP1PDE3BPDE3A
SCHEMBL10033073 0.75 PDE3B (0.50) NR3C2MAPTRXFP1PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016180349-A1 BIPHENYL DERIVATIVE HAVING BETA2 RECEPTOR EXCITEMENT AND M RECEPTOR ANTAGONISTIC ACTIVITIES AND APPLICATION THEREFOF IN MEDICAMENT 四川海思科制药有限公司 2016-11-17 WO disclosed
EP-1917253-B1 METHOD FOR PRODUCING BETAMIMETICS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 EP disclosed
US-8420809-B2 Process for the manufacturing of betamimetics BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-16 US disclosed
EP-2125759-B1 METHOD FOR PRODUCING BETAMIMETICS BOEHRINGER INGELHEIM INT (DE) 2011-08-03 EP disclosed
US-20110124859-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-26 US disclosed
WO-2008090193-A2 METHOD FOR PRODUCING BETAMIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 WO disclosed
US-20070088160-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-19 US disclosed
WO-2007020227-A1 METHOD FOR PRODUCING BETAMIMETICS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-22 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 (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-20070088160-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS ADRA1D, ADRB1, ADRA1A NR3C2 309/4885MAPT 3603/4885RXFP1 728/4885
US-20110124859-A1 PROCESS FOR THE MANUFACTURING OF BETAMIMETICS ADRA1D, ADRB1, ADRA1A NR3C2 309/4885MAPT 3603/4885RXFP1 728/4885

“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.