SCHEMBL16619207

SCHEMBL16619207

COc1ccc(CN(C)C(=O)c2ccc(C[C@@H]3CC[C@H](C(O)c4ccccc4)N3)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.49
KCNH2 Q12809 8/20 0.49
ADRB2 P07550 5/20 0.49
SLC6A2 P23975 4/20 0.48
SLC6A4 P31645 3/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL16619204 1.00 ADRB3 (0.49) ADRB3KCNH2ADRB2SLC6A2SLC6A4
SCHEMBL16619861 0.89 ADRB3 (0.38) ADRB3KCNH2ADRB2SLC6A2SLC6A4
SCHEMBL16619863 0.89 ADRB3 (0.38) ADRB3KCNH2ADRB2SLC6A2SLC6A4
SCHEMBL16619276 0.88 ADRB3 (0.50) ADRB3KCNH2ADRB2SLC6A2SLC6A4
SCHEMBL16619277 0.88 ADRB3 (0.50) ADRB3KCNH2ADRB2SLC6A2SLC6A4
SCHEMBL16618949 0.88 ADRB3 (0.47) ADRB3KCNH2ADRB2SLC6A2SLC6A4
SCHEMBL16618950 0.88 ADRB3 (0.47) ADRB3KCNH2ADRB2SLC6A2SLC6A4
SCHEMBL16619848 0.85 ADRB3 (0.51) ADRB3KCNH2ADRB2SLC6A2SLC6A4
SCHEMBL12079982 0.85 ADRB3 (0.52) ADRB3KCNH2ADRB2SLC6A2SLC6A4
SCHEMBL16619852 0.85 ADRB3 (0.51) ADRB3KCNH2ADRB2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052099-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2019-08-21 EP disclosed
US-9486448-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-20160235727-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2016-08-18 US disclosed
EP-3052099-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2016-08-10 EP disclosed
WO-2015050798-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2015-04-09 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-20160235727-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 ADRB3 1/4885KCNH2 571/4885ADRB2 3/4885

“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.