SCHEMBL15213606

SCHEMBL15213606

CC(=O)OC[C@@H]1C[C@@]1(COc1cnc(C)nc1C)c1cccc(F)c1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.63
HCRTR2 O43614 20/20 0.63
KCNH2 Q12809 6/20 0.63

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
SCHEMBL22666385 1.00 HCRTR1 (0.63) HCRTR1HCRTR2KCNH2
SCHEMBL2610459 0.90 HCRTR1 (0.60) HCRTR1HCRTR2KCNH2
SCHEMBL19866895 0.88 HCRTR1 (0.60) HCRTR1HCRTR2KCNH2
SCHEMBL29521573 0.87 HCRTR1 (0.63) HCRTR1HCRTR2KCNH2
SCHEMBL22666389 0.87 HCRTR1 (0.63) HCRTR1HCRTR2KCNH2
SCHEMBL2116673 0.87 HCRTR1 (0.63) HCRTR1HCRTR2KCNH2
SCHEMBL19124706 0.87 HCRTR1 (0.63) HCRTR1HCRTR2KCNH2
SCHEMBL26351279 0.85 HCRTR1 (0.74) HCRTR1HCRTR2KCNH2
SCHEMBL26350983 0.85 HCRTR1 (0.74) HCRTR1HCRTR2KCNH2
SCHEMBL24533939 0.83 HCRTR1 (0.74) HCRTR1HCRTR2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220194925-A1 METHOD AND COMPOUND USEFUL IN PREPARATION OF OREXIN-2 RECEPTOR ANTAGONIST, AND LEMBOREXANT HAVING FEW IMPURITIES EISAI R&D MANAGEMENT CO., LTD. (JP) 2022-06-23 US disclosed
US-20220194925-A1 METHOD AND COMPOUND USEFUL IN PREPARATION OF OREXIN-2 RECEPTOR ANTAGONIST, AND LEMBOREXANT HAVING FEW IMPURITIES EISAI R&D MANAGEMENT CO., LTD. (JP) 2022-06-23 US disclosed
CN-113727962-A Methods and compounds for preparing orexin-2 receptor antagonists and lebereproduction with reduced impurities 卫材R&D管理有限公司 2021-11-30 CN disclosed
WO-2020230800-A1 METHOD AND COMPOUND USEFUL IN PREPARATION OF OREXIN-2 RECEPTOR ANTAGONIST, AND LEMBOREXANT HAVING FEW IMPURITIES エーザイ・アール・アンド・ディー・マネジメント株式会社 2020-11-19 WO disclosed
EP-3178814-B1 METHOD FOR PRODUCING PYRIMIDIN-1-OL COMPOUND, AND INTERMEDIATE THEREOF EISAI R&D MAN CO LTD (JP) 2019-04-10 EP disclosed
EP-2814798-B1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF OREXIN-2 RECEPTOR ANTAGONISTS EISAI R&D MAN CO LTD (JP) 2019-04-03 EP disclosed
US-20180044285-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF OREXIN-2 RECEPTOR ANTAGONISTS EISAI R&D MAN CO LTD (JP) 2018-02-15 US disclosed
US-9828336-B2 Methods and compounds useful in the synthesis of orexin-2 receptor antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-11-28 US disclosed
US-9828336-B2 Methods and compounds useful in the synthesis of orexin-2 receptor antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-11-28 US disclosed
US-20170204068-A1 METHOD FOR PRODUCING PYRIMIDINE-1-OL COMPOUND, AND INTERMEDIATE THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-07-20 US disclosed
US-20170204068-A1 METHOD FOR PRODUCING PYRIMIDINE-1-OL COMPOUND, AND INTERMEDIATE THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-07-20 US disclosed
EP-3178814-A1 METHOD FOR PRODUCING PYRIMIDIN-1-OL COMPOUND, AND INTERMEDIATE THEREOF Eisai R&D Management Co., Ltd. (JP) 2017-06-14 EP disclosed
US-20160318858-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF OREXIN-2 RECEPTOR ANTAGONISTS EISAI R&D MAN CO LTD (JP) 2016-11-03 US disclosed
US-20160318858-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF OREXIN-2 RECEPTOR ANTAGONISTS EISAI R&D MAN CO LTD (JP) 2016-11-03 US disclosed
US-9416109-B2 Methods and compounds useful in the synthesis of orexin-2 receptor antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-16 US disclosed
US-9416109-B2 Methods and compounds useful in the synthesis of orexin-2 receptor antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-16 US disclosed
US-20150025237-A1 Methods and Compounds Useful in the Synthesis of Orexin-2 Receptor Antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-01-22 US disclosed
US-20150025237-A1 Methods and Compounds Useful in the Synthesis of Orexin-2 Receptor Antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-01-22 US disclosed
US-8901153-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-12-02 US disclosed
WO-2013123240-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF OREXIN-2 RECEPTOR ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD (JP) 2013-08-22 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 (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-20220194925-A1 METHOD AND COMPOUND USEFUL IN PREPARATION OF OREXIN-2 RECEPTOR ANTAGONIST, AND LEMBOREXANT HAVING FEW IMPURITIES HCRTR2, HCRTR1, MCHR2 HCRTR1 2/4885HCRTR2 1/4885KCNH2 1380/4885
US-20150025237-A1 Methods and Compounds Useful in the Synthesis of Orexin-2 Receptor Antagonists HCRTR2, HCRTR1, NPY2R HCRTR1 2/4885HCRTR2 1/4885KCNH2 2306/4885
US-20170204068-A1 METHOD FOR PRODUCING PYRIMIDINE-1-OL COMPOUND, AND INTERMEDIATE THEREOF DPYD, UMPS, TYMS HCRTR1 4807/4885HCRTR2 4720/4885KCNH2 3811/4885
US-20180044285-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF OREXIN-2 RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY2R HCRTR1 2/4885HCRTR2 1/4885KCNH2 2306/4885
US-20160318858-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF OREXIN-2 RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY2R HCRTR1 2/4885HCRTR2 1/4885KCNH2 2306/4885

“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.