SCHEMBL2116071

SCHEMBL2116071

O=C1OC[C@@H]2C[C@]12c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.45
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
HSD11B1 P28845 2/20 0.38
CCR2 P41597 1/20 0.36
CYP19A1 P11511 1/20 0.36
SLC6A4 P31645 4/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 3/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL31371272 1.00 KDM1A (0.45) KDM1AHTR2AHTR2CHTR2BHSD11B1
SCHEMBL20859649 1.00 KDM1A (0.45) KDM1AHTR2AHTR2CHTR2BHSD11B1
SCHEMBL31351865 1.00 KDM1A (0.45) KDM1AHTR2AHTR2CHTR2BHSD11B1
SCHEMBL20859650 1.00 KDM1A (0.45) KDM1AHTR2AHTR2CHTR2BHSD11B1
SCHEMBL2610412 0.84 CYP19A1 (0.32) CYP19A1
SCHEMBL7708394 0.82 CHRNA1 (0.35) HSD11B1CYP19A1SLC6A4SLC6A2SLC6A3
SCHEMBL8244711 0.82 CHRNA1 (0.35) HSD11B1CYP19A1SLC6A4SLC6A2SLC6A3
SCHEMBL15467278 0.82 CHRNA1 (0.35) HSD11B1CYP19A1SLC6A4SLC6A2SLC6A3
SCHEMBL2474866 0.82 HTR2C (0.38) HTR2AHTR2CHTR2BHSD11B1SLC6A4
SCHEMBL2482801 0.81 MAOB (0.39) HSD11B1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260049069-A1 METHOD AND COMPOUND USEFUL IN PREPARATION OF OREXIN-2 RECEPTOR ANTAGONIST, AND LEMBOREXANT HAVING FEW IMPURITIES EISAI R&D MAN CO LTD (JP) 2026-02-19 US disclosed
US-12479819-B2 Method and compound useful in preparation of orexin-2 receptor antagonist, and lemborexant having few impurities EISAI R&D MANAGEMENT CO., LTD. (JP) 2025-11-25 US disclosed
EP-4506325-A2 METHOD AND COMPOUND USEFUL IN PREPARATION OF OREXIN-2 RECEPTOR ANTAGONIST, AND LEMBOREXANT HAVING FEW IMPURITIES Eisai R&D Management Co., Ltd. (JP) 2025-02-12 EP disclosed
EP-3971164-B1 METHOD AND COMPOUND USEFUL IN PREPARATION OF OREXIN-2 RECEPTOR ANTAGONIST, AND LEMBOREXANT HAVING FEW IMPURITIES EISAI R&D MAN CO LTD (JP) 2025-01-29 EP disclosed
CN-119264110-A Methods and compounds for preparing orexin-2 receptor antagonists, and reduced impurity lebol Lei Sheng 卫材R&D管理有限公司 2025-01-07 CN disclosed
CN-118994106-A Preparation method of diastereoisomer of lebol Lei Sheng 福安药业集团重庆礼邦药物开发有限公司 2024-11-22 CN disclosed
CN-113727962-B Methods and compounds for preparing orexin-2 receptor antagonists, and reduced impurity lebol Lei Sheng 卫材R&D管理有限公司 2024-10-22 CN disclosed
CN-118047755-A Synthesis method of lebol Lei Sheng 四川奥邦古得药业有限公司 2024-05-17 CN disclosed
CN-118047756-A Preparation method of lebol Lei Sheng 四川奥邦古得药业有限公司 2024-05-17 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
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-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 US disclosed
US-20120165339-A1 CYCLOPROPANE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-28 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
EP-1656349-B1 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS LUNDBECK & CO AS H (DK) 2011-10-12 EP disclosed
US-7834008-B2 neurokinin receptor 3 (NK3) antagonists; psychological disorders, inflammatory bowel disease, asthma, ischemia, Parkinson's disease; e.g. (1S,2R)-2-(4-Acetylamino-4-phenyl-piperidin-1-ylmethyl)-1-(3,4-dichlorophenyl)-cyclopropanecarboxylic acid, benzyl-methyl-amide H. LUNDBECK A/S (DK) 2010-11-16 US disclosed
US-20060281746-A1 Cyclopropyl derivatives as nk3 receptor antagonists H. LUNDBECK A/S (DK) 2006-12-14 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 (6 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-20260049069-A1 METHOD AND COMPOUND USEFUL IN PREPARATION OF OREXIN-2 RECEPTOR ANTAGONIST, AND LEMBOREXANT HAVING FEW IMPURITIES HCRTR2, HCRTR1, NPY1R KDM1A 1176/4885HTR2A 196/4885HTR2C 174/4885
US-20220194925-A1 METHOD AND COMPOUND USEFUL IN PREPARATION OF OREXIN-2 RECEPTOR ANTAGONIST, AND LEMBOREXANT HAVING FEW IMPURITIES HCRTR2, HCRTR1, MCHR2 KDM1A 1071/4885HTR2A 154/4885HTR2C 142/4885
US-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 KDM1A 1582/4885HTR2A 129/4885HTR2C 109/4885
US-20060281746-A1 Cyclopropyl derivatives as nk3 receptor antagonists TACR2, SLC6A3, TACR1 KDM1A 3544/4885HTR2A 1232/4885HTR2C 708/4885
US-20120165339-A1 CYCLOPROPANE DERIVATIVES HCRTR2, HCRTR1, CNR1 KDM1A 1249/4885HTR2A 133/4885HTR2C 152/4885
US-12479819-B2 Method and compound useful in preparation of orexin-2 receptor antagonist, and lemborexant having few impurities HCRTR2, HCRTR1, MCHR2 KDM1A 1071/4885HTR2A 154/4885HTR2C 142/4885

“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.