SCHEMBL2116763

SCHEMBL2116763

Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)O)c(C)n1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.74
HCRTR2 O43614 20/20 0.74
KCNH2 Q12809 5/20 0.74

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
SCHEMBL29521524 1.00 HCRTR1 (0.74) HCRTR1HCRTR2KCNH2
SCHEMBL24533939 1.00 HCRTR1 (0.74) HCRTR1HCRTR2KCNH2
SCHEMBL22666388 1.00 HCRTR1 (0.74) HCRTR1HCRTR2KCNH2
SCHEMBL26350991 0.92 HCRTR1 (0.74) HCRTR1HCRTR2KCNH2
SCHEMBL16638936 0.92 HCRTR1 (0.74) HCRTR1HCRTR2KCNH2
SCHEMBL26350983 0.92 HCRTR1 (0.74) HCRTR1HCRTR2KCNH2
SCHEMBL2610558 0.92 HCRTR1 (0.74) HCRTR1HCRTR2KCNH2
SCHEMBL26351279 0.92 HCRTR1 (0.74) HCRTR1HCRTR2KCNH2
SCHEMBL26350998 0.91 HCRTR1 (0.73) HCRTR1HCRTR2KCNH2
SCHEMBL28928604 0.90 HCRTR1 (0.75) 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023178693-A1 METHOD FOR PREPARING LEMBOREXANT AND METHOD FOR PREPARING LEMBOREXANT INTERMEDIATE 浙江华海药业股份有限公司 2023-09-28 WO disclosed
WO-2023178693-A1 METHOD FOR PREPARING LEMBOREXANT AND METHOD FOR PREPARING LEMBOREXANT INTERMEDIATE 浙江华海药业股份有限公司 2023-09-28 WO disclosed
WO-2023178702-A1 METHOD FOR PREPARING LEMBOREXANT AND METHOD FOR PREPARING LEMBOREXANT INTERMEDIATE COMPOUND 浙江华海药业股份有限公司 2023-09-28 WO disclosed
WO-2023178702-A1 METHOD FOR PREPARING LEMBOREXANT AND METHOD FOR PREPARING LEMBOREXANT INTERMEDIATE COMPOUND 浙江华海药业股份有限公司 2023-09-28 WO disclosed
CN-114901285-A Raw material medicine of Leboraseng and medicine composition containing same 卫材R&D管理有限公司 2022-08-12 CN 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
US-20210347759-A1 METHOD FOR MANUFACTURING CYCLOPROPANE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-11-11 US disclosed
WO-2021145373-A1 DRUG SUBSTANCE OF LEMBOREXANT AND MEDICINAL COMPOSITION COMPRISING SAME エーザイ・アール・アンド・ディー・マネジメント株式会社 2021-07-22 WO disclosed
EP-3848348-A1 METHOD FOR MANUFACTURING CYCLOPROPANE COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2021-07-14 EP 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 HCRTR1 2/4885HCRTR2 1/4885KCNH2 1380/4885
US-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 HCRTR1 1/4885HCRTR2 2/4885KCNH2 369/4885
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-20210347759-A1 METHOD FOR MANUFACTURING CYCLOPROPANE COMPOUND DHPS, FDPS, CYP1B1 HCRTR1 3618/4885HCRTR2 2977/4885KCNH2 1019/4885

“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.