SCHEMBL16619699

SCHEMBL16619699

COC(C)CN(C)C(=O)c1ccc(C[C@@H]2CC[C@H](C(O)c3ccc(Cl)nc3)N2)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.41
KCNH2 Q12809 6/20 0.40
ADRB2 P07550 4/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39

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
SCHEMBL16619697 1.00 ADRB3 (0.41) ADRB3KCNH2ADRB2SLC6A2SLC6A4
SCHEMBL16629917 0.87 ADRB3 (0.40) ADRB3KCNH2ADRB2SLC6A2SLC6A4
SCHEMBL16619973 0.87 ADRB3 (0.42) ADRB3KCNH2ADRB2SLC6A2SLC6A4
SCHEMBL16619975 0.87 ADRB3 (0.42) ADRB3KCNH2ADRB2SLC6A2SLC6A4
SCHEMBL16620260 0.85 ADRB3 (0.54) ADRB3KCNH2ADRB2SLC6A2SLC6A4
SCHEMBL16620258 0.85 ADRB3 (0.54) ADRB3KCNH2ADRB2SLC6A2SLC6A4
SCHEMBL16620035 0.85 ADRB3 (0.37) ADRB3KCNH2ADRB2SLC6A2SLC6A4
SCHEMBL16619863 0.85 ADRB3 (0.38) ADRB3KCNH2ADRB2SLC6A2SLC6A4
SCHEMBL16619861 0.85 ADRB3 (0.38) ADRB3KCNH2ADRB2SLC6A2SLC6A4
SCHEMBL18019667 0.84 ADRB3 (0.40) 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 10 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 claimed
US-9486448-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 US claimed
US-20160235727-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2016-08-18 US claimed
EP-3052099-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2016-08-10 EP claimed
WO-2015050798-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2015-04-09 WO claimed
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.