SCHEMBL15213356

SCHEMBL15213356

CC(=O)OC[C@@H]1C[C@@]1(COS(=O)(=O)c1ccc(C)cc1)c1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 9/20 0.36
HCRTR1 O43613 6/20 0.36
KCNH2 Q12809 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PTGIR P43119 1/20 0.33
CCR2 P41597 1/20 0.33
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL22666391 1.00 HCRTR2 (0.36) HCRTR2HCRTR1KCNH2SLC6A2SLC6A4
SCHEMBL19857249 1.00 HCRTR2 (0.36) HCRTR2HCRTR1KCNH2SLC6A2SLC6A4
SCHEMBL16406053 0.86 SLC6A4 (0.36) HCRTR2HCRTR1KCNH2SLC6A2SLC6A4
SCHEMBL15177888 0.84 SLC6A4 (0.42) HCRTR2HCRTR1KCNH2SLC6A2SLC6A4
SCHEMBL28785380 0.84 HCRTR2 (0.37) HCRTR2HCRTR1KCNH2SLC6A2SLC6A4
SCHEMBL22666390 0.80 SLC6A4 (0.42) HCRTR2HCRTR1KCNH2SLC6A2SLC6A4
SCHEMBL16406055 0.80 SLC6A4 (0.45) HCRTR2HCRTR1KCNH2SLC6A2SLC6A4
SCHEMBL22666434 0.80 SLC6A4 (0.42) HCRTR2HCRTR1KCNH2SLC6A2SLC6A4
SCHEMBL2118783 0.80 SLC6A4 (0.42) HCRTR2HCRTR1KCNH2SLC6A2SLC6A4
SCHEMBL9258914 0.75 STAT3 (0.38) ALDH1A1LMNAMAPTGAATSHR

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 21 patents — showing the first 20. 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
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
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-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
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-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
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 HCRTR2 1/4885HCRTR1 2/4885KCNH2 1380/4885
US-20150025237-A1 Methods and Compounds Useful in the Synthesis of Orexin-2 Receptor Antagonists HCRTR2, HCRTR1, NPY2R HCRTR2 1/4885HCRTR1 2/4885KCNH2 2306/4885
US-20170204068-A1 METHOD FOR PRODUCING PYRIMIDINE-1-OL COMPOUND, AND INTERMEDIATE THEREOF DPYD, UMPS, TYMS HCRTR2 4720/4885HCRTR1 4807/4885KCNH2 3811/4885
US-20180044285-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF OREXIN-2 RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY2R HCRTR2 1/4885HCRTR1 2/4885KCNH2 2306/4885
US-20160318858-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF OREXIN-2 RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY2R HCRTR2 1/4885HCRTR1 2/4885KCNH2 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.