SCHEMBL16619585

SCHEMBL16619585

CCc1[nH]nc(C(=O)NC)c1C

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.66
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TAAR1 Q96RJ0 2/20 0.44
SLC6A3 Q01959 1/20 0.44
YTHDC1 Q96MU7 1/20 0.42
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
GFER P55789 2/20 0.37
KMT2A Q03164 1/20 0.35

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
SCHEMBL9026943 0.79 HCAR2 (0.72) HCAR2NPC1RAB9ATAAR1SLC6A3
SCHEMBL3085155 0.79 HCAR2 (1.00) HCAR2NPC1RAB9ATAAR1SLC6A3
SCHEMBL11203508 0.79 HCAR2 (0.66) HCAR2NPC1RAB9ATAAR1SLC6A3
SCHEMBL28251799 0.78 HCAR2 (0.70) HCAR2NPC1RAB9ATAAR1SLC6A3
SCHEMBL19382697 0.78 HCAR2 (0.70) HCAR2NPC1RAB9ATAAR1SLC6A3
Hydrochloric Acid SCHEMBL3094434 0.77 HCAR2 (0.64) HCAR2NPC1RAB9ATAAR1SLC6A3
SCHEMBL28835666 0.74 TAAR1 (0.54) HCAR2NPC1RAB9ATAAR1SLC6A3
SCHEMBL23931251 0.73 HCAR2 (0.58) HCAR2NPC1RAB9ATAAR1SLC6A3
SCHEMBL28835662 0.72 TAAR1 (0.45) HCAR2NPC1RAB9ATAAR1SLC6A3
SCHEMBL9026077 0.70 HCAR2 (0.58) HCAR2NPC1RAB9ATAAR1SLC6A3

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 8 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

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 HCAR2 328/4885NPC1 2259/4885RAB9A 1413/4885

“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.