SCHEMBL16619619

SCHEMBL16619619

CNC(Cc1ccccc1)c1cc(C)[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.42
SLC18A2 Q05940 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
AURKA O14965 2/20 0.40
AURKB Q96GD4 2/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MME P08473 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
PAK4 O96013 2/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL13884135 0.85 L3MBTL1 (0.38) TAAR1SLC18A2SIGMAR1L3MBTL1AURKA
SCHEMBL16619580 0.77 HCAR2 (0.32) L3MBTL1CYP2D6CYP2C19
SCHEMBL16629867 0.76 TAAR1 (0.42) TAAR1SLC18A2SIGMAR1L3MBTL1CYP2D6
SCHEMBL9322413 0.71 KDM4E (0.51) TAAR1SLC18A2SIGMAR1L3MBTL1CYP2D6
SCHEMBL21914932 0.70 PTPRB (0.47) TAAR1SLC18A2SIGMAR1L3MBTL1CYP2D6
SCHEMBL1541692 0.69 TAAR1 (0.57) TAAR1SLC18A2SIGMAR1L3MBTL1CYP2D6
SCHEMBL13621464 0.69 TAAR1 (0.57) TAAR1SLC18A2SIGMAR1L3MBTL1CYP2D6
SCHEMBL13621571 0.69 TAAR1 (0.57) TAAR1SLC18A2SIGMAR1L3MBTL1CYP2D6
SCHEMBL16199253 0.69 TAAR1 (0.44) TAAR1SLC18A2SIGMAR1L3MBTL1CYP2D6
SCHEMBL7505281 0.69 TAAR1 (0.44) TAAR1SLC18A2SIGMAR1L3MBTL1CYP2D6

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 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-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
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 TAAR1 128/4885SLC18A2 1204/4885SIGMAR1 153/4885

“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.