SCHEMBL700085

SCHEMBL700085

O=CC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.61
CCR3 P51677 1/20 0.59
SIGMAR1 Q99720 2/20 0.59
HDAC8 Q9BY41 1/20 0.58
DRD2 P14416 3/20 0.57
DRD4 P21917 3/20 0.57
DRD3 P35462 3/20 0.57
CXCR4 P61073 1/20 0.55
HTR2A P28223 1/20 0.55
BACE1 P56817 2/20 0.54
BCHE P06276 1/20 0.54
MEN1 O00255 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL28532094 1.00 ACHE (0.61) ACHECCR3SIGMAR1HDAC8DRD2
Hydrochloric Acid SCHEMBL12539267 0.92 ACHE (0.53) ACHECCR3SIGMAR1HDAC8DRD2
SCHEMBL22483707 0.90 KCNH2 (0.56) ACHEHDAC8DRD2DRD4DRD3
SCHEMBL28781259 0.90 ALDH1A1 (0.55) ACHECCR3SIGMAR1HDAC8DRD2
SCHEMBL2538235 0.90 ACHE (0.53) ACHECCR3SIGMAR1HDAC8DRD2
SCHEMBL29031133 0.86 KDM4E (0.64) ACHESIGMAR1HDAC8BCHEMEN1
SCHEMBL28546647 0.84 HDAC8 (0.64) SIGMAR1HDAC8DRD2DRD4CXCR4
SCHEMBL30442828 0.84 HDAC8 (0.64) SIGMAR1HDAC8DRD2DRD4CXCR4
SCHEMBL28538945 0.84 HDAC1 (0.59) ACHESIGMAR1HDAC8DRD2DRD4
SCHEMBL6983982 0.83 HDAC8 (0.60) ACHECCR3SIGMAR1HDAC8DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924153-A Preparation method of key intermediate of donepezil bulk drug 山东盛安贝新材料有限公司南京分公司 2024-04-26 CN claimed
CN-115960035-A Method for controlling impurities in donepezil hydrochloride preparation process 浙江华海药业股份有限公司 2023-04-14 CN claimed
CN-115960034-A Method for refining donepezil condensation compound 浙江华海药业股份有限公司 2023-04-14 CN claimed
WO-2022091141-A1 AN IMPROVED PROCESS OF DONEPEZIL HYDOCHLORIDE VIHITA CHEM PRIVATE LIMITED (IN) 2022-05-05 WO claimed
CN-113979922-A Preparation method of N-benzylpiperidine-4-formaldehyde and N-benzylpiperidine-4-methanol 新发药业有限公司 2022-01-28 CN claimed
CN-111484444-B Synthesis method of N-benzyl-4-piperidine formaldehyde 常州大学 2021-07-30 CN claimed
CN-111484444-A Synthesis method of N-benzyl-4-piperidine formaldehyde 常州大学 2020-08-04 CN claimed
CN-106631989-B A kind of preparation method of the Doneppezil Hydrochloride in relation to substance E 威海迪素制药有限公司 2019-07-16 CN claimed
CN-106631989-A Preparation method of donepezil hydrochloride related substance E 威海迪素制药有限公司 2017-05-10 CN claimed
CN-105693596-A Preparation method of 1-benzyl-4-piperidine formaldehyde 上海金树树脂粉末有限公司 2016-06-22 CN claimed
WO-2007119118-A2 SYNTHESIS AND PREPARATIONS OF INTERMEDIATES AND POLYMORPHS THEREOF USEFUL FOR THE PREPARATION OF DONEPEZIL HYDROCHLORIDE MEDICHEM S.A. (US) 2007-10-25 WO claimed
CN-1300112-C Synthesis method of N-benzyl-4-piperidyl formaldehgde UNIV ZHEJIANG (CN) 2007-02-14 CN claimed
US-20050261343-A1 Anthranilamides and their use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-11-24 US claimed
CN-1556105-A Synthesis method of N-benzyl-4-piperidyl formaldehgde 浙江大学 2004-12-22 CN claimed
US-20040029880-A1 Anthranyl amides and their use as medicaments BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-02-12 US claimed
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP claimed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 US claimed
CN-1255119-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2000-05-31 CN claimed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP claimed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO claimed

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

For each of this compound's patents that has machine-readable text (3 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-20050261343-A1 Anthranilamides and their use as pharmaceutical agents AADAC, ANTXR2, VEGFA ACHE 3678/4885CCR3 3247/4885SIGMAR1 3868/4885
US-20020065230-A1 Protease inhibitors PRSS1, DNPEP, CTSZ ACHE 1021/4885CCR3 1110/4885SIGMAR1 4799/4885
US-20040029880-A1 Anthranyl amides and their use as medicaments AADAC, ANTXR2, VEGFA ACHE 3294/4885CCR3 3922/4885SIGMAR1 2933/4885

“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.