SCHEMBL2118783

SCHEMBL2118783

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.42
SLC6A2 P23975 2/20 0.42
CCR2 P41597 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
KDM1A O60341 2/20 0.38
HSD11B1 P28845 1/20 0.38
HCRTR2 O43614 6/20 0.38
HCRTR1 O43613 5/20 0.38
KCNH2 Q12809 1/20 0.38
SLC6A3 Q01959 2/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL22666390 1.00 SLC6A4 (0.42) SLC6A4SLC6A2CCR2HTR2AHTR2C
SCHEMBL22666434 1.00 SLC6A4 (0.42) SLC6A4SLC6A2CCR2HTR2AHTR2C
SCHEMBL16406055 0.90 SLC6A4 (0.45) SLC6A4SLC6A2CCR2HTR2AHTR2C
SCHEMBL15177888 0.90 SLC6A4 (0.42) SLC6A4SLC6A2CCR2HTR2AHTR2C
SCHEMBL19866643 0.84 HTR2A (0.43) SLC6A4SLC6A2CCR2HTR2AHTR2C
SCHEMBL19645410 0.84 SLC6A2 (0.38) SLC6A4SLC6A2CCR2HTR2AHTR2C
SCHEMBL16406052 0.80 HTR2A (0.46) SLC6A4SLC6A2CCR2HTR2AHTR2C
SCHEMBL19857249 0.80 HCRTR2 (0.36) SLC6A4SLC6A2CCR2HTR2AHTR2C
SCHEMBL22666391 0.80 HCRTR2 (0.36) SLC6A4SLC6A2CCR2HTR2AHTR2C
SCHEMBL15213356 0.80 HCRTR2 (0.36) SLC6A4SLC6A2CCR2HTR2AHTR2C

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 31 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
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-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-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
EP-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP 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
EP-2626350-A1 CYCLOPROPANE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-08-14 EP disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 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 (4 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 SLC6A4 3005/4885SLC6A2 1060/4885CCR2 538/4885
US-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 SLC6A4 370/4885SLC6A2 331/4885CCR2 267/4885
US-20150025237-A1 Methods and Compounds Useful in the Synthesis of Orexin-2 Receptor Antagonists HCRTR2, HCRTR1, NPY2R SLC6A4 341/4885SLC6A2 233/4885CCR2 869/4885
US-20180044285-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF OREXIN-2 RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY2R SLC6A4 341/4885SLC6A2 233/4885CCR2 869/4885

“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.