Sugi Predict

Sugi Predict / Compounds / SCHEMBL16797405

SCHEMBL16797405

SCHEMBL16797405

CCOc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1C(=O)OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 20/20 1.00
▸ HCRTR2 O43614 20/20 1.00
▸ ENPP2 Q13822 1/20 0.74

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
SCHEMBL18160586 0.93 HCRTR2 (0.89) HCRTR1HCRTR2ENPP2
SCHEMBL16797840 0.93 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL16797428 0.92 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL15826053 0.91 HCRTR2 (1.00) HCRTR1HCRTR2ENPP2
SCHEMBL15826055 0.90 HCRTR2 (1.00) HCRTR1HCRTR2ENPP2
SCHEMBL18148969 0.89 HCRTR2 (1.00) HCRTR1HCRTR2ENPP2
SCHEMBL15825454 0.89 HCRTR1 (1.00) HCRTR1HCRTR2ENPP2
SCHEMBL15820063 0.89 HCRTR2 (0.89) HCRTR1HCRTR2ENPP2
SCHEMBL15820061 0.89 HCRTR2 (1.00) HCRTR1HCRTR2ENPP2
SCHEMBL29515515 0.89 HCRTR2 (1.00) HCRTR1HCRTR2ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975876-B2 2-pyridyloxy-3-ester-4-ether orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-05-22 — — US claimed
US-20160304490-A1 2-PYRIDYLOXY-3-ESTER-4-ETHER OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-10-20 — — US claimed
WO-2015088864-A1 2-PYRIDYLOXY-3-ESTER-4-ETHER OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-06-18 — — WO claimed
US-9975876-B2 2-pyridyloxy-3-ester-4-ether orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-05-22 — — US disclosed
US-9975876-B2 2-pyridyloxy-3-ester-4-ether orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-05-22 — — US disclosed
US-9975876-B2 2-pyridyloxy-3-ester-4-ether orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-05-22 — — US disclosed
US-20160304490-A1 2-PYRIDYLOXY-3-ESTER-4-ETHER OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-10-20 — — US disclosed
US-20160304490-A1 2-PYRIDYLOXY-3-ESTER-4-ETHER OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-10-20 — — US disclosed
US-20160304490-A1 2-PYRIDYLOXY-3-ESTER-4-ETHER OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-10-20 — — US disclosed
WO-2015088864-A1 2-PYRIDYLOXY-3-ESTER-4-ETHER OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-06-18 — — WO disclosed
WO-2015088864-A1 2-PYRIDYLOXY-3-ESTER-4-ETHER OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-06-18 — — 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-20160304490-A1 2-PYRIDYLOXY-3-ESTER-4-ETHER OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R HCRTR1 2/4885HCRTR2 1/4885ENPP2 296/4885

“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.