SCHEMBL20578055

SCHEMBL20578055

COC(=O)CC(C)N(Cc1ccc(OC)cc1)C(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 2/20 0.42
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MMP1 P03956 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NR1D1 P20393 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ AKT1 P31749 2/20 0.37
▸ HTRA1 Q92743 1/20 0.36
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL20578054 1.00 CACNA1B (0.42) CACNA1BPPARGPPARATDP1MMP1
SCHEMBL20578332 0.89 GAA (0.43) CACNA1BPPARGPPARALMNANR1D1
SCHEMBL20578333 0.89 GAA (0.43) CACNA1BPPARGPPARALMNANR1D1
SCHEMBL17784914 0.89 AKT1 (0.48) KMT2AAKT1MEN1
SCHEMBL17784913 0.89 AKT1 (0.48) KMT2AAKT1MEN1
SCHEMBL20578126 0.85 MMP1 (0.43) PPARGPPARAMMP1ALDH1A1NR1D1
SCHEMBL20578125 0.85 MMP1 (0.43) PPARGPPARAMMP1ALDH1A1NR1D1
SCHEMBL20578347 0.81 CTSS (0.45) PPARGALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL20578346 0.81 CTSS (0.45) PPARGALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL20578302 0.81 HPGD (0.38) CACNA1BALDH1A1HTTLMNAKMT2A

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 6 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20190040052-A1 SUVOREXANT INTERMEDIATE AND PREPARATION METHOD THEREOF COMT, KMO, CYP4B1 CACNA1B 210/4885PPARG 1696/4885PPARA 1362/4885
US-10618891-B2 Suvorexant intermediate and preparation method thereof COMT, KMO, CYP4B1 CACNA1B 210/4885PPARG 1696/4885PPARA 1362/4885

“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.

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