SCHEMBL29666646

SCHEMBL29666646

CN(C)S(=O)(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1COC1CCC(=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.58

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
SCHEMBL29666709 0.89 HCRTR2 (0.70) HCRTR2
SCHEMBL29666650 0.83 HCRTR2 (0.55) HCRTR2
SCHEMBL21838495 0.81 HCRTR2 (0.67) HCRTR2
SCHEMBL29666583 0.81 HCRTR2 (0.51) HCRTR2
SCHEMBL29666629 0.80 HCRTR2 (0.48) HCRTR2
SCHEMBL23391529 0.76 HCRTR2 (0.47) HCRTR2
SCHEMBL31035009 0.74 HCRTR2 (0.46) HCRTR2
SCHEMBL19220176 0.74 HCRTR2 (1.00) HCRTR2
Hydrochloric Acid SCHEMBL21293913 0.73 HCRTR2 (0.68) HCRTR2
Hydrochloric Acid SCHEMBL28673494 0.73 HCRTR2 (0.68) HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002397-A1 3-AMINO PYRROLIDINE AND PIPERIDINE MACROCYCLIC OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-01-04 US disclosed
EP-4247801-A1 3-AMINO PYRROLIDINE AND PIPERIDINE MACROCYCLIC OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-09-27 EP disclosed
WO-2022109117-A1 3-AMINO PYRROLIDINE AND PIPERIDINE MACROCYCLIC OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-05-27 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-20240002397-A1 3-AMINO PYRROLIDINE AND PIPERIDINE MACROCYCLIC OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, OXTR HCRTR2 2/4885

“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.