SCHEMBL17069764

SCHEMBL17069764

CC(C)(C)C(=O)c1c(F)cccc1-n1nccn1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.46
HCRTR2 O43614 18/20 0.46

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
SCHEMBL17069780 0.83 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL16025401 0.83 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL27870874 0.82 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL1586205 0.81 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL1672211 0.81 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL29597179 0.81 HCRTR1 (0.49) HCRTR1HCRTR2
Iodomethane SCHEMBL31482883 0.80 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL16666175 0.80 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL18195531 0.79 HCRTR2 (0.48) HCRTR1HCRTR2
SCHEMBL18594654 0.79 HCRTR1 (0.46) HCRTR1HCRTR2

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 15 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 disclosed
US-9975876-B2 2-pyridyloxy-3-ester-4-ether orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-05-22 US disclosed
US-9745284-B2 2-pyridyloxy-4-ether orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-9745284-B2 2-pyridyloxy-4-ether orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-9617246-B2 Thioether-piperidinyl orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-04-11 US disclosed
US-9617246-B2 Thioether-piperidinyl orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-04-11 US disclosed
US-9586934-B2 2-pyridyloxy-4-methyl orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9586950-B2 2-pyridyloxy-3-ester-4-nitrile orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9586950-B2 2-pyridyloxy-3-ester-4-nitrile orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9586934-B2 2-pyridyloxy-4-methyl orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20160368898-A1 2-PYRIDYLOXY-4-METHYL OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-12-22 US disclosed
US-20160318899-A1 THIOETHER-PIPERIDINYL OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-11-03 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-20160016935-A1 2-PYRIDYLOXY-4-ETHER OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-01-21 US disclosed
US-20150252033-A1 2-PYRIDYLOXY-3-ESTER-4-NITRILE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-09-10 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 (5 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-20150252033-A1 2-PYRIDYLOXY-3-ESTER-4-NITRILE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NTSR2 HCRTR1 2/4885HCRTR2 1/4885
US-20160304490-A1 2-PYRIDYLOXY-3-ESTER-4-ETHER OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R HCRTR1 2/4885HCRTR2 1/4885
US-20160318899-A1 THIOETHER-PIPERIDINYL OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885
US-20160368898-A1 2-PYRIDYLOXY-4-METHYL OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY2R HCRTR1 2/4885HCRTR2 1/4885
US-20160016935-A1 2-PYRIDYLOXY-4-ETHER OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY2R HCRTR1 2/4885HCRTR2 1/4885

“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.