T-817

T-817

SCHEMBL48162

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

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CHRM1CHRM2CHRM3CHRM4ESR1ESR2GABRA1GABRB1GABRG2GBA1HRH1HTR1DHTR2AOPRD1OPRK1OPRM1SLC6A2SLC6A3TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 9)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.35
OPRK1 known ✓ P41145 1/20 0.35
SIGMAR1 Q99720 2/20 0.83
CYP2A6 P11509 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
KCNH2 Q12809 1/20 0.32
MCHR2 Q969V1 1/20 0.32
MCHR1 Q99705 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
T-817 SCHEMBL48161 1.00 SIGMAR1 (0.83) SIGMAR1OPRM1OPRK1CYP2A6HCRTR1
T-817 SCHEMBL30574118 0.91 SIGMAR1 (1.00) SIGMAR1OPRM1OPRK1CYP2A6HCRTR1
T-817 SCHEMBL27725 0.91 SIGMAR1 (1.00) SIGMAR1OPRM1OPRK1CYP2A6HCRTR1
T-817 SCHEMBL4134384 0.90 SIGMAR1 (0.86) SIGMAR1OPRM1OPRK1CYP2A6HCRTR1
T-817 SCHEMBL47926 0.90 SIGMAR1 (0.98) SIGMAR1OPRM1OPRK1CYP2A6HCRTR1
T-817 SCHEMBL29371335 0.89 SIGMAR1 (1.00) SIGMAR1OPRM1OPRK1CYP2A6
T-817 SCHEMBL47995 0.89 SIGMAR1 (1.00) SIGMAR1OPRM1OPRK1CYP2A6
T-817 SCHEMBL48064 0.89 SIGMAR1 (1.00) SIGMAR1OPRM1OPRK1CYP2A6
T-817 SCHEMBL47997 0.89 SIGMAR1 (1.00) SIGMAR1OPRM1OPRK1CYP2A6
SCHEMBL27025 0.87 SIGMAR1 (0.91) SIGMAR1OPRM1OPRK1CYP2A6HCRTR1

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 9 patents. 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 disclosed
US-8129535-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-30 US disclosed
US-7468443-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-23 US disclosed
EP-1437353-B1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2007-06-13 EP 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
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 (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-20060194781-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 OPRM1 1485/4885OPRK1 614/4885SIGMAR1 1934/4885
US-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF AHNAK, NGF, PMP22 OPRM1 1485/4885OPRK1 614/4885SIGMAR1 1934/4885
US-20050070521-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 OPRM1 1485/4885OPRK1 614/4885SIGMAR1 1934/4885

“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.