Sugi Predict

Sugi Predict / Compounds / SCHEMBL8996599

SCHEMBL8996599

SCHEMBL8996599

COC(=O)C[C@@H](C)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.56
▸ MAPT P10636 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ POLB P06746 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ BCHE P06276 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PLA2G1B P04054 1/20 0.44
▸ ATG4B Q9Y4P1 1/20 0.44

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
SCHEMBL8996609 1.00 SIGMAR1 (0.56) SIGMAR1MAPTL3MBTL1GAAATM
SCHEMBL891954 1.00 SIGMAR1 (0.56) SIGMAR1MAPTL3MBTL1GAAATM
SCHEMBL536970 0.86 PPID (0.55) SIGMAR1MAPTL3MBTL1MEN1KMT2A
SCHEMBL8936169 0.86 PPID (0.55) SIGMAR1MAPTL3MBTL1MEN1KMT2A
SCHEMBL4855884 0.85 SMN1; SMN2 (0.44) L3MBTL1ATMMEN1KMT2AALDH1A1
SCHEMBL4408805 0.85 MEN1 (0.48) SIGMAR1MAPTL3MBTL1ATMMEN1
SCHEMBL5394620 0.84 SIGMAR1 (0.50) SIGMAR1MAPTATMMEN1KMT2A
SCHEMBL2852187 0.84 SIGMAR1 (0.61) SIGMAR1MAPTGAAMEN1KMT2A
SCHEMBL4849306 0.84 SIGMAR1 (0.61) SIGMAR1MAPTGAAMEN1KMT2A
SCHEMBL4855673 0.84 SIGMAR1 (0.61) SIGMAR1MAPTGAAMEN1KMT2A

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 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-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
CN-108602810-A Su Woleisheng midbody compounds and preparation method thereof 浙江华海药业股份有限公司 2018-09-28 — — CN disclosed
US-10000499-B2 Methyl diazepane orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-06-19 — — US disclosed
US-10000499-B2 Methyl diazepane orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-06-19 — — US 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
CN-107021955-A Su Woleisheng midbody compounds and preparation method thereof 上海奥博生物医药技术有限公司 2017-08-08 — — CN disclosed
WO-2016085784-A1 METHYL DIAZEPANE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-02 — — WO disclosed
EP-1594843-B1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE beta-amino acid derivative TAKASAGO PERFUMERY CO LTD (JP) 2013-05-22 — — EP disclosed
US-8188307-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-29 — — US disclosed
US-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE TAKASAGO INTERNATIONAL COPORATION (JP) 2010-02-11 — — US disclosed
US-7601842-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-13 — — 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 (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-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE AADAT, KMO, ALDH7A1 SIGMAR1 2965/4885MAPT 4178/4885L3MBTL1 4666/4885
US-20170305916-A1 METHYL DIAZEPANE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR SIGMAR1 383/4885MAPT 809/4885L3MBTL1 4048/4885
US-20190040052-A1 SUVOREXANT INTERMEDIATE AND PREPARATION METHOD THEREOF COMT, KMO, CYP4B1 SIGMAR1 271/4885MAPT 2399/4885L3MBTL1 4747/4885
US-10618891-B2 Suvorexant intermediate and preparation method thereof COMT, KMO, CYP4B1 SIGMAR1 271/4885MAPT 2399/4885L3MBTL1 4747/4885
US-10000499-B2 Methyl diazepane orexin receptor antagonists HCRTR2, HCRTR1, OXTR SIGMAR1 383/4885MAPT 809/4885L3MBTL1 4048/4885

“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.