SCHEMBL1824025

SCHEMBL1824025

CS(=O)(=O)Nc1cc(C(O)CNC2(CCc3ccccc3)CCCCC2)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.66
ADRB2 P07550 2/20 0.61

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
SCHEMBL1825968 0.91 ADRB3 (0.59) ADRB3ADRB2
SCHEMBL1825594 0.89 ADRB3 (0.64) ADRB3ADRB2
SCHEMBL1827259 0.89 ADRB3 (0.68) ADRB3
SCHEMBL1823924 0.80 ADRB3 (0.62) ADRB3ADRB2
SCHEMBL1826826 0.80 ADRB3 (0.66) ADRB3
SCHEMBL1824009 0.79 ADRB3 (0.67) ADRB3
SCHEMBL866010 0.77 ADRB3 (0.60) ADRB3ADRB2
Zinterol SCHEMBL30338438 0.76 ADRB2 (1.00) ADRB3ADRB2
Zinterol SCHEMBL119175 0.76 ADRB2 (1.00) ADRB3ADRB2
Zinterol SCHEMBL14452736 0.76 ADRB2 (1.00) ADRB3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761509-B1 SUBSTITUTED CYCLOALKYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2011-05-04 EP disclosed
US-7563806-B2 Substituted cycloalkyl derivatives, process for the manufacture thereof and use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-21 US disclosed
US-7563806-B2 Substituted cycloalkyl derivatives, process for the manufacture thereof and use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-21 US disclosed
US-7423035-B2 Substituted cycloalkyl derivatives, process for the manufacture thereof and use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-09 US disclosed
US-7423035-B2 Substituted cycloalkyl derivatives, process for the manufacture thereof and use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-09 US disclosed
US-20080146554-A1 Substituted Cycloalkyl Derivatives, Process for the Manufacture thereof and Use thereof as Medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 US disclosed
US-20080146554-A1 Substituted Cycloalkyl Derivatives, Process for the Manufacture thereof and Use thereof as Medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 US disclosed
US-20050261286-A1 Substituted cycloalkyl derivatives, process for the manufacture thereof and use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US disclosed
EP-1595873-A1 Substituted cycloalkyl derivatives for the treatment of respiratory diseases Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-11-16 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-20080146554-A1 Substituted Cycloalkyl Derivatives, Process for the Manufacture thereof and Use thereof as Medicament CHRM1, CHRM2, CHRM3 ADRB3 39/4885ADRB2 83/4885
US-20050261286-A1 Substituted cycloalkyl derivatives, process for the manufacture thereof and use thereof as medicament CHRM1, CHRM2, CHRM3 ADRB3 39/4885ADRB2 83/4885

“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.