SCHEMBL47836

SCHEMBL47836

O=C(CCOCCc1ccc2sccc2c1)N1CC(O)C1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.66
CYP2A6 P11509 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
CTNNB1 P35222 2/20 0.35
WNT3A P56704 2/20 0.35
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL48860 0.90 SIGMAR1 (0.56) SIGMAR1CYP2A6OPRM1OPRK1CTNNB1
SCHEMBL48003 0.90 SIGMAR1 (0.64) SIGMAR1CYP2A6OPRM1OPRK1CTNNB1
SCHEMBL14492351 0.88 SIGMAR1 (0.54) SIGMAR1CYP2A6OPRM1OPRK1CTNNB1
SCHEMBL48172 0.85 SIGMAR1 (0.51) SIGMAR1CYP2A6OPRM1OPRK1CTNNB1
SCHEMBL48233 0.85 SIGMAR1 (0.51) SIGMAR1CYP2A6OPRM1OPRK1CTNNB1
SCHEMBL48261 0.84 SIGMAR1 (0.50) SIGMAR1CYP2A6OPRM1OPRK1CTNNB1
SCHEMBL48155 0.84 SIGMAR1 (0.51) SIGMAR1CYP2A6OPRM1OPRK1CTNNB1
SCHEMBL52456 0.84 SIGMAR1 (0.52) SIGMAR1CYP2A6OPRM1OPRK1ROCK2
SCHEMBL48246 0.84 SIGMAR1 (0.50) SIGMAR1CYP2A6OPRM1OPRK1CTNNB1
SCHEMBL47947 0.83 SIGMAR1 (0.49) SIGMAR1CYP2A6OPRM1OPRK1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2348022-B1 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)ethoxy)propyl)azetidin-3-ol or salts thereof TOYAMA CHEMICAL CO LTD (JP) 2013-01-09 EP claimed
US-8273902-B2 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-09-25 US claimed
EP-2348022-A1 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)ethoxy)propyl)azetidin-3-ol or salts thereof Toyama Chemical Co., Ltd. (JP) 2011-07-27 EP claimed
US-20110098484-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)- ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2011-04-28 US claimed
EP-2210884-A2 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propionic acid and 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol as well as salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-28 EP claimed
US-20090069576-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)-ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD (JP) 2009-03-12 US claimed
EP-1864978-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)- ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-12-12 EP claimed
EP-3705121-B1 EMOPAMIL BINDING PROTEIN BINDING AGENT AND USE THEREOF FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2023-08-30 EP disclosed
US-11548878-B2 Emopamil binding protein binding agent and use thereof FUJIFILM TOYAMA CHEMICAL CO., LTD. (JP) 2023-01-10 US disclosed
US-20210198245-A1 EMOPAMIL BINDING PROTEIN BINDING AGENT AND USE THEREOF FUJIFILM TOYAMA CHEMICAL CO., LTD. (JP) 2021-07-01 US disclosed
EP-3705121-A1 EMOPAMIL BINDING PROTEIN BINDING AGENT AND USE THEREOF FUJIFILM Toyama Chemical Co., Ltd. (JP) 2020-09-09 EP disclosed
US-20200206187-A1 SCREENING PLATFORM TO IDENTIFY THERAPEUTIC DRUGS OR AGENTS FOR TREATMENT OF ALZHEIMER'S DISEASE TANZI RUDOLPH E (US) 2020-07-02 US disclosed
CN-111163770-A Screening platform for identifying therapeutic drugs or agents for treating alzheimer's disease 综合医院公司 2020-05-15 CN disclosed
EP-1437353-B1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2007-06-13 EP disclosed
US-20060205709-A1 Preventive/remedy for retinal nerve diseases containing alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2006-09-14 US disclosed
US-20060194781-A1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2006-08-31 US disclosed
US-7087594-B2 central nervous system disorders; regenerating nervous systems TOYAMA CHEMICAL CO., LTD. (JP) 2006-08-08 US disclosed
EP-1614419-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2006-01-11 EP disclosed
US-20050070521-A1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2005-03-31 US disclosed
EP-1437353-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-07-14 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 (7 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-20090069576-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)-ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF PMP22, ACOX1, PAOX SIGMAR1 1914/4885CYP2A6 1393/4885OPRM1 557/4885
US-20060205709-A1 Preventive/remedy for retinal nerve diseases containing alkyl ether derivatives or salts thereof RB1, ALDH1A2, NR2E3 SIGMAR1 2529/4885CYP2A6 3200/4885OPRM1 3166/4885
US-20060194781-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 SIGMAR1 1934/4885CYP2A6 3512/4885OPRM1 1485/4885
US-20110098484-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)- ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF PMP22, ACOX1, PAOX SIGMAR1 1914/4885CYP2A6 1393/4885OPRM1 557/4885
US-20210198245-A1 EMOPAMIL BINDING PROTEIN BINDING AGENT AND USE THEREOF EBPL, SERPINA6, CRHBP SIGMAR1 3215/4885CYP2A6 3607/4885OPRM1 1136/4885
US-11548878-B2 Emopamil binding protein binding agent and use thereof EBPL, SERPINA6, CRHBP SIGMAR1 3215/4885CYP2A6 3607/4885OPRM1 1136/4885
US-20050070521-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 SIGMAR1 1934/4885CYP2A6 3512/4885OPRM1 1485/4885

“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.