SCHEMBL48065

SCHEMBL48065

O=C(/C=C\C(=O)OC1CN(CCCOCCc2ccc3sccc3c2)C1)OC1CN(CCCOCCc2ccc3sccc3c2)C1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.73
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
SLC6A2 P23975 3/20 0.35
CYP2A6 P11509 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL47996 1.00 SIGMAR1 (0.73) SIGMAR1OPRM1OPRK1SLC6A4SLC6A3
SCHEMBL48186 0.91 SIGMAR1 (0.62) SIGMAR1OPRM1OPRK1SLC6A4SLC6A3
SCHEMBL48356 0.91 SIGMAR1 (0.64) SIGMAR1OPRM1
SCHEMBL4134386 0.89 SIGMAR1 (0.72) SIGMAR1OPRM1OPRK1SLC6A4SLC6A3
SCHEMBL48025 0.89 SIGMAR1 (0.72) SIGMAR1OPRM1OPRK1SLC6A4SLC6A3
SCHEMBL47955 0.87 SIGMAR1 (0.70) SIGMAR1OPRM1OPRK1SLC6A4SLC6A3
SCHEMBL48309 0.87 SIGMAR1 (0.68) SIGMAR1OPRM1OPRK1SLC6A4SLC6A3
Oxalic Acid SCHEMBL48075 0.87 SIGMAR1 (0.68) SIGMAR1OPRM1OPRK1SLC6A4SLC6A3
SCHEMBL48110 0.86 SIGMAR1 (0.67) SIGMAR1OPRM1
SCHEMBL47949 0.86 SIGMAR1 (0.67) SIGMAR1OPRM1OPRK1SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43676-E1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-09-18 US claimed
US-8067406-B2 Preventive/remedy for retinal nerve diseases containing alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2011-11-29 US claimed
US-20110112066-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2011-05-12 US claimed
US-RE42327-E1 Medicinal compositions improving brain function and method for improving brain function TOYAMA CHEMICAL CO., LTD. (JP) 2011-05-03 US claimed
US-7897594-B2 Preventive/remedy for retinal nerve diseases containing alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2011-03-01 US claimed
US-20100075941-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-03-25 US claimed
US-7342043-B2 synergistic antihypoxic mixture: acetylcholine esterase inhibitor (Donepezil and Tacrine) and neuroprotectant 1-[3-(2-(1-benzothiophen-5-yl)ethoxy)propyl]-3-azetidinol maleate; dysfunction of cerebral acetylcholine neurons in sequelae of cerebrovascular and senile dementia, Alzheimer's disease TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-11 US claimed
EP-3308782-B1 SIGMA-RECEPTOR BINDING AGENT TOYAMA CHEMICAL CO LTD (JP) 2022-01-19 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
EP-3651761-A1 SCREENING PLATFORM TO IDENTIFY THERAPEUTIC DRUGS OR AGENTS FOR TREATMENT OF ALZHEIMER'S DISEASE The General Hospital Corporation (US) 2020-05-20 EP 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
WO-2019013838-A1 SCREENING PLATFORM TO IDENTIFY THERAPEUTIC DRUGS OR AGENTS FOR TREATMENT OF ALZHEIMER'S DISEASE THE GENERAL HOSPITAL CORPORATION (US) 2019-01-17 WO disclosed
EP-2946792-A1 THERAPEUTIC AGENT AND THERAPEUTIC METHOD RELATING TO 1,25D3-MARRS FOR NEUROLOGICAL DISEASE SUCH AS ALZHEIMER'S DISEASE& xA; Resilio Company Limited (JP) 2015-11-25 EP 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 (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-20060205709-A1 Preventive/remedy for retinal nerve diseases containing alkyl ether derivatives or salts thereof RB1, ALDH1A2, NR2E3 SIGMAR1 2529/4885OPRM1 3166/4885OPRK1 1591/4885
US-20110112066-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF RB1, ALDH1A2, NR2E3 SIGMAR1 2529/4885OPRM1 3166/4885OPRK1 1591/4885
US-20060194781-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 SIGMAR1 1934/4885OPRM1 1485/4885OPRK1 614/4885
US-20100075941-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF RB1, ALDH1A2, NR2E3 SIGMAR1 2529/4885OPRM1 3166/4885OPRK1 1591/4885
US-20050070521-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 SIGMAR1 1934/4885OPRM1 1485/4885OPRK1 614/4885

“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.