SCHEMBL17670537

SCHEMBL17670537

CC(C)(Cc1ccccc1)NC[C@H](O)c1ccc(O)c2c1SCN2

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.58
ADRB1 P08588 15/20 0.58

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
SCHEMBL27882604 0.80 ADRB1 (0.59) ADRB2ADRB1
SCHEMBL27882605 0.80 ADRB1 (0.59) ADRB2ADRB1
SCHEMBL27533593 0.77 ADRB2 (0.54) ADRB2ADRB1
SCHEMBL11863159 0.75 ADRB2 (0.69) ADRB2ADRB1
SCHEMBL11692760 0.75 ADRB2 (0.58) ADRB2ADRB1
SCHEMBL6259255 0.74 ADRB2 (0.55) ADRB2ADRB1
SCHEMBL13292432 0.74 ADRB2 (0.62) ADRB2ADRB1
SCHEMBL3836158 0.72 ADRB2 (1.00) ADRB2ADRB1
SCHEMBL11725884 0.70 ADRB2 (0.81) ADRB2ADRB1
Hydrochloric Acid SCHEMBL11449053 0.69 ADRB2 (0.80) ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160101097-A1 Combinations of Glycopyrrolate and Beta2 Adrenoceptor Agonists NOVARTIS AG (CH) 2016-04-14 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 (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-20160101097-A1 Combinations of Glycopyrrolate and Beta2 Adrenoceptor Agonists ADRB2, GALR2, GALR3 ADRB2 1/4885ADRB1 5/4885

“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.