SCHEMBL9933368

SCHEMBL9933368

CC(C)(C)OC(=O)N1CC2C(C1)C2n1cnnn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
GPR119 Q8TDV5 4/20 0.38
JAK3 P52333 1/20 0.38
SSTR4 P31391 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
NAMPT P43490 1/20 0.35
RORC P51449 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL10084068 1.00 NR1H2 (0.40) NR1H2GPR119JAK3SSTR4USP2
SCHEMBL9933620 0.81 NR1H2 (0.51) NR1H2GPR119USP2SMN1; SMN2KDM4E
SCHEMBL16894812 0.80 NR1H2 (0.44) NR1H2GPR119JAK3SSTR4USP2
SCHEMBL16903797 0.80 NR1H2 (0.44) NR1H2GPR119JAK3SSTR4USP2
SCHEMBL28385882 0.80 NR1H2 (0.44) NR1H2GPR119JAK3SSTR4USP2
SCHEMBL13645880 0.78 GPR119 (0.46) GPR119USP2SMN1; SMN2PTPN2PTPN1
SCHEMBL18082348 0.75 NR1H2 (0.58) NR1H2GPR119USP2SMN1; SMN2NAMPT
SCHEMBL16759817 0.75 NR1H2 (0.58) NR1H2GPR119USP2SMN1; SMN2NAMPT
SCHEMBL31390591 0.73 CHRM2 (0.48) GPR119
SCHEMBL12142155 0.70 NR1H2 (0.53) NR1H2GPR119USP2SMN1; SMN2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595483-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2017-03-22 EP disclosed
EP-2632457-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2017-03-22 EP disclosed
US-9186354-B2 Pyrrolidine derived β3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2015-11-17 US disclosed
US-9186354-B2 Pyrrolidine derived β3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2015-11-17 US disclosed
US-9186354-B2 Pyrrolidine derived β3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2015-11-17 US disclosed
US-8933102-B2 Pyrrolidine derived β3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2015-01-13 US disclosed
US-20140315912-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2014-10-23 US disclosed
US-20140315912-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2014-10-23 US disclosed
US-20140315912-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2014-10-23 US disclosed
EP-2470021-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
EP-2470021-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
US-20130225599-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS Life Technologies Corporation (US) 2013-08-29 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 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 (3 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-20140315912-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 NR1H2 122/4885GPR119 156/4885JAK3 856/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 NR1H2 122/4885GPR119 188/4885JAK3 788/4885
US-20130225599-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 NR1H2 177/4885GPR119 173/4885JAK3 1681/4885

“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.