T-817

T-817

SCHEMBL47997

O=C(O)C=CC(=O)O.OC1CN(CCCOCCc2ccc3sccc3c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of T-817. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 known ✓ P35367 1/20 0.33
SIGMAR1 Q99720 2/20 1.00
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
CYP2A6 P11509 1/20 0.34

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
T-817 SCHEMBL29371335 1.00 SIGMAR1 (1.00) SIGMAR1OPRM1OPRK1CYP2A6HRH1
T-817 SCHEMBL47995 1.00 SIGMAR1 (1.00) SIGMAR1OPRM1OPRK1CYP2A6HRH1
T-817 SCHEMBL48064 1.00 SIGMAR1 (1.00) SIGMAR1OPRM1OPRK1CYP2A6HRH1
T-817 SCHEMBL27725 0.92 SIGMAR1 (1.00) SIGMAR1OPRM1OPRK1CYP2A6HRH1
T-817 SCHEMBL30574118 0.92 SIGMAR1 (1.00) SIGMAR1OPRM1OPRK1CYP2A6HRH1
T-817 SCHEMBL4134384 0.91 SIGMAR1 (0.86) SIGMAR1OPRM1OPRK1CYP2A6
T-817 SCHEMBL47926 0.91 SIGMAR1 (0.98) SIGMAR1OPRM1OPRK1CYP2A6HRH1
T-817 SCHEMBL48161 0.89 SIGMAR1 (0.83) SIGMAR1OPRM1OPRK1CYP2A6
T-817 SCHEMBL48162 0.89 SIGMAR1 (0.83) SIGMAR1OPRM1OPRK1CYP2A6
SCHEMBL27025 0.88 SIGMAR1 (0.91) SIGMAR1OPRM1OPRK1CYP2A6

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 53 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
US-20170129915-A1 THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH NERVE AXON DYSFUNCTION, INCLUDING THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE RESILIO COMPANY LIMITED (JP) 2017-05-11 US 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
US-20150320706-A1 FORMULATIONS AND METHODS OF TREATING ALZHEIMER'S DISEASE AND OTHER PROTEINOPATHIES BY COMBINATION THERAPY CHIESI FARMACEUTICI S.P.A. (IT) 2015-11-12 US disclosed
US-20150126464-A1 THERAPEUTIC DRUG AND THERAPEUTIC METHOD FOR NEUROLOGICAL DISEASES INCLUDING ALZHEIMER'S DISEASE ASSOCIATED WITH 1,25D3-MARRS RESILIO COMPANY LIMITED (JP) 2015-05-07 US 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-20050250843-A1 Medicinal compositions improving brain function and method for improving brain function TOYAMA CHEMICAL CO., LTD. (JP) 2005-11-10 US 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 (9 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 HRH1 1805/4885SIGMAR1 2529/4885OPRM1 3166/4885
US-20050250843-A1 Medicinal compositions improving brain function and method for improving brain function CHRM2, ACHE, CHAT HRH1 804/4885SIGMAR1 1872/4885OPRM1 1553/4885
US-20110112066-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF RB1, ALDH1A2, NR2E3 HRH1 1805/4885SIGMAR1 2529/4885OPRM1 3166/4885
US-20060194781-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 HRH1 3669/4885SIGMAR1 1934/4885OPRM1 1485/4885
US-20170129915-A1 THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH NERVE AXON DYSFUNCTION, INCLUDING THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE GAP43, NGF, BDNF HRH1 3123/4885SIGMAR1 3215/4885OPRM1 4233/4885
US-20150320706-A1 FORMULATIONS AND METHODS OF TREATING ALZHEIMER'S DISEASE AND OTHER PROTEINOPATHIES BY COMBINATION THERAPY MAPT, GABRA5, MAP1LC3A HRH1 2691/4885SIGMAR1 966/4885OPRM1 1731/4885
US-20150126464-A1 THERAPEUTIC DRUG AND THERAPEUTIC METHOD FOR NEUROLOGICAL DISEASES INCLUDING ALZHEIMER'S DISEASE ASSOCIATED WITH 1,25D3-MARRS BDNF, BACE1, GAP43 HRH1 1544/4885SIGMAR1 1219/4885OPRM1 1535/4885
US-20100075941-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF RB1, ALDH1A2, NR2E3 HRH1 1805/4885SIGMAR1 2529/4885OPRM1 3166/4885
US-20050070521-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 HRH1 3669/4885SIGMAR1 1934/4885OPRM1 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.