SCHEMBL17784914

SCHEMBL17784914

COC(=O)C[C@@H](C)N(Cc1ccccc1)C(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 3/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CTSS P25774 5/20 0.44
▸ CTSL P07711 3/20 0.44
▸ CTSB P07858 3/20 0.44
▸ SYK P43405 1/20 0.42
▸ KLK5 Q9Y337 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ CTSK P43235 2/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ REN P00797 3/20 0.40

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
SCHEMBL17784913 1.00 AKT1 (0.48) AKT1MEN1KMT2ACTSSCTSL
SCHEMBL23035088 0.91 AKT1 (0.50) AKT1MEN1KMT2ACTSSCTSL
SCHEMBL23035087 0.91 AKT1 (0.50) AKT1MEN1KMT2ACTSSCTSL
SCHEMBL23035155 0.90 SIGMAR1 (0.44) AKT1CTSSCTSLCTSBSYK
SCHEMBL20578332 0.89 GAA (0.43) AKT1
SCHEMBL20578054 0.89 CACNA1B (0.42) AKT1MEN1KMT2A
SCHEMBL20578055 0.89 CACNA1B (0.42) AKT1MEN1KMT2A
SCHEMBL20578333 0.89 GAA (0.43) AKT1
SCHEMBL20578346 0.87 CTSS (0.45) AKT1MEN1KMT2ACTSSCTSK
SCHEMBL20578347 0.87 CTSS (0.45) AKT1MEN1KMT2ACTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602810-B Suvorexane intermediate compound and preparation method thereof 浙江华海药业股份有限公司 2021-11-09 — — CN claimed
EP-3412665-B1 SUVOREXANT INTERMEDIATES AND PREPARATION METHODS THEREOF ZHEJIANG HUAHAI PHARM CO LTD (CN) 2021-03-03 — — EP claimed
US-20190040052-A1 SUVOREXANT INTERMEDIATE AND PREPARATION METHOD THEREOF ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2019-02-07 — — US claimed
EP-3412665-A1 SUVOREXANT INTERMEDIATE AND PREPARATION METHOD THEREOF Zhejiang Huahai Pharmaceutical Co., Ltd (CN) 2018-12-12 — — EP claimed
CN-108602810-B Suvorexane intermediate compound and preparation method thereof 浙江华海药业股份有限公司 2021-11-09 — — CN disclosed
CN-107021955-B Suvorexane intermediate compound and preparation method thereof 上海奥博生物医药股份有限公司 2021-03-30 — — CN disclosed
EP-3412665-B1 SUVOREXANT INTERMEDIATES AND PREPARATION METHODS THEREOF ZHEJIANG HUAHAI PHARM CO LTD (CN) 2021-03-03 — — EP disclosed
US-10618891-B2 Suvorexant intermediate and preparation method thereof ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2020-04-14 — — US disclosed
US-10618891-B2 Suvorexant intermediate and preparation method thereof ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2020-04-14 — — US disclosed
US-20190040052-A1 SUVOREXANT INTERMEDIATE AND PREPARATION METHOD THEREOF ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2019-02-07 — — US disclosed
US-20190040052-A1 SUVOREXANT INTERMEDIATE AND PREPARATION METHOD THEREOF ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2019-02-07 — — US disclosed
EP-3412665-A1 SUVOREXANT INTERMEDIATE AND PREPARATION METHOD THEREOF Zhejiang Huahai Pharmaceutical Co., Ltd (CN) 2018-12-12 — — EP disclosed
US-10000499-B2 Methyl diazepane orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-06-19 — — US disclosed
US-20170305916-A1 METHYL DIAZEPANE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-10-26 — — US disclosed
US-20170305916-A1 METHYL DIAZEPANE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-10-26 — — US disclosed
US-20170305916-A1 METHYL DIAZEPANE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-10-26 — — US disclosed
WO-2017133620-A1 SUVOREXANT INTERMEDIATE AND PREPARATION METHOD THEREOF 浙江华海药业股份有限公司 2017-08-10 — — WO disclosed
WO-2016085784-A1 METHYL DIAZEPANE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-02 — — WO disclosed
WO-2016085784-A1 METHYL DIAZEPANE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-02 — — 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 (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-20170305916-A1 METHYL DIAZEPANE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR AKT1 3470/4885MEN1 1001/4885KMT2A 408/4885
US-20190040052-A1 SUVOREXANT INTERMEDIATE AND PREPARATION METHOD THEREOF COMT, KMO, CYP4B1 AKT1 1391/4885MEN1 1102/4885KMT2A 89/4885
US-10618891-B2 Suvorexant intermediate and preparation method thereof COMT, KMO, CYP4B1 AKT1 1391/4885MEN1 1102/4885KMT2A 89/4885
US-10000499-B2 Methyl diazepane orexin receptor antagonists HCRTR2, HCRTR1, OXTR AKT1 3470/4885MEN1 1001/4885KMT2A 408/4885

“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.

Send feedback