SCHEMBL16619131

SCHEMBL16619131

COC(=O)c1cncc(CN(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HTR2C P28335 2/20 0.38
SLC6A4 P31645 2/20 0.38
GLS O94925 1/20 0.38
CACNA1G O43497 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1C Q13936 1/20 0.37
CYP2A6 P11509 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ALPL P05186 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
RIPK1 Q13546 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CLK1 P49759 1/20 0.34
HIF1A Q16665 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34

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
SCHEMBL12407008 0.88 ATM (0.47) ATMCYP11B1CYP11B2CYP2A6ALDH1A1
SCHEMBL16630310 0.86 KDM4E (0.43) HTR2CSLC6A4GLSCACNA1GCACNA1B
SCHEMBL2618862 0.85 KDM4E (0.40) HTR2CSLC6A4GLSCACNA1GCACNA1B
SCHEMBL17660859 0.82 CLK1 (0.42) CYP11B1CYP11B2HTR2CSLC6A4GLS
SCHEMBL21278439 0.81 HTR2C (0.39) HTR2CSLC6A4GLSCACNA1GCACNA1B
SCHEMBL16629762 0.81 HTR2C (0.41) CYP11B1CYP11B2HTR2CSLC6A4GLS
SCHEMBL16947896 0.81 HTR2C (0.41) HTR2CSLC6A4GLSCACNA1GCACNA1B
SCHEMBL18017408 0.81 HTR2C (0.41) ATMHTR2CSLC6A4GLSCACNA1G
SCHEMBL16629765 0.81 HTR2C (0.39) HTR2CSLC6A4GLSCACNA1GCACNA1B
SCHEMBL1830055 0.81 LOXL2 (0.54) HTR2CSLC6A4GLSALDH1A1HIF1A

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-3052099-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2019-08-21 EP disclosed
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-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
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
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 ATM 3843/4885CYP11B1 343/4885CYP11B2 330/4885

“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.