SCHEMBL16447802

SCHEMBL16447802

C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccccc1-n1nccn1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 19/20 0.66
HCRTR1 O43613 9/20 0.61

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
SCHEMBL16447150 1.00 HCRTR2 (0.66) HCRTR2HCRTR1
SCHEMBL16447785 0.91 HCRTR2 (0.63) HCRTR2HCRTR1
SCHEMBL19518107 0.90 HCRTR2 (0.62) HCRTR2HCRTR1
SCHEMBL16453597 0.89 HCRTR2 (0.67) HCRTR2HCRTR1
SCHEMBL16447712 0.89 HCRTR2 (0.67) HCRTR2HCRTR1
SCHEMBL16453633 0.88 HCRTR2 (0.65) HCRTR2HCRTR1
Hydrochloric Acid SCHEMBL17870567 0.87 HCRTR2 (0.64) HCRTR2HCRTR1
SCHEMBL15758636 0.86 HCRTR2 (0.64) HCRTR2HCRTR1
SCHEMBL16453634 0.85 HCRTR2 (0.65) HCRTR2HCRTR1
SCHEMBL17724267 0.84 HCRTR2 (0.64) HCRTR2HCRTR1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030233-B1 OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2019-10-09 EP disclosed
EP-3030233-B1 OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2019-10-09 EP disclosed
US-10308645-B2 Piperidine oxadiazole and thiadiazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2019-06-04 US disclosed
US-10308645-B2 Piperidine oxadiazole and thiadiazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2019-06-04 US disclosed
EP-3030234-B1 THIAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2018-09-19 EP disclosed
US-10017504-B2 Piperidine isoxazole and isothiazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-07-10 US disclosed
US-10017504-B2 Piperidine isoxazole and isothiazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-07-10 US disclosed
US-10017504-B2 Piperidine isoxazole and isothiazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-07-10 US disclosed
US-9828368-B2 Oxazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-11-28 US disclosed
US-9828368-B2 Oxazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-11-28 US disclosed
EP-3030233-A1 OXAZOLE OREXIN RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2016-06-15 EP disclosed
EP-3030234-A1 THIAZOLE OREXIN RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2016-06-15 EP disclosed
WO-2016069517-A1 PIPERIDINE ISOXAZOLE AND ISOTHIAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-05-06 WO disclosed
WO-2016065585-A1 PIPERIDINE ISOXAZOLE AND ISOTHIAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-05-06 WO disclosed
WO-2015018029-A1 OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-02-12 WO disclosed
WO-2015018029-A1 OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-02-12 WO disclosed
WO-2015018027-A1 THIAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-02-12 WO disclosed
WO-2015018027-A1 THIAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-02-12 WO disclosed
WO-2015020930-A1 OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-02-12 WO disclosed
WO-2015020933-A1 THIAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-02-12 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 (2 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-10017504-B2 Piperidine isoxazole and isothiazole orexin receptor antagonists HCRTR1, HCRTR2, OXTR HCRTR2 2/4885HCRTR1 1/4885
US-10308645-B2 Piperidine oxadiazole and thiadiazole orexin receptor antagonists HCRTR2, HCRTR1, OXTR HCRTR2 1/4885HCRTR1 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.