SCHEMBL3367731

SCHEMBL3367731

COc1ccccc1-c1nc(C)n(CCC(C)(C)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.52
ADRB3 P13945 18/20 0.51

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
SCHEMBL3365509 0.86 ADRB3 (0.60) ADRB3
SCHEMBL3368636 0.86 ADRB3 (0.55) ADRB2ADRB3
SCHEMBL3368941 0.84 ADRB3 (0.55) ADRB2ADRB3
SCHEMBL3367728 0.84 ADRB3 (0.56) ADRB2ADRB3
SCHEMBL4984614 0.84 ADRB3 (0.50) ADRB2ADRB3
SCHEMBL3366354 0.83 ADRB3 (0.53) ADRB2ADRB3
SCHEMBL3367699 0.79 ADRB3 (0.50) ADRB2ADRB3
SCHEMBL3366345 0.77 ADRB3 (0.58) ADRB3
SCHEMBL3368789 0.73 ADRB3 (0.63) ADRB3
Hydrochloric Acid SCHEMBL11749095 0.72 ADRB3 (0.78) ADRB2ADRB3

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
EP-1720546-B1 NOVEL, SUSTAINED-ACTION BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2010-09-01 EP disclosed
US-7405232-B2 Long acting beta-2 agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-29 US disclosed
US-7405232-B2 Long acting beta-2 agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-29 US disclosed
EP-1720546-A1 NOVEL, SUSTAINED-ACTION BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-11-15 EP disclosed
US-20050197374-A1 New long acting beta-2 agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-08 US disclosed
WO-2005077361-A1 NOVEL, SUSTAINED-ACTION BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-25 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 (1 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-20050197374-A1 New long acting beta-2 agonists and their use as medicaments ADRB2, ADRA2A, ADRA2C ADRB2 1/4885ADRB3 6/4885

“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.