SCHEMBL27025

SCHEMBL27025

OC1CN(CCOCCc2ccc3sccc3c2)C1

nearest known ligand 0.91

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.91
CYP2A6 P11509 1/20 0.41
SLC6A4 P31645 5/20 0.36
SLC6A3 Q01959 5/20 0.36
SLC6A2 P23975 4/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
ROCK2 O75116 1/20 0.33
HRH3 Q9Y5N1 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
Hydrochloric Acid SCHEMBL47954 0.99 SIGMAR1 (0.89) SIGMAR1CYP2A6SLC6A4SLC6A3SLC6A2
T-817 SCHEMBL27725 0.95 SIGMAR1 (1.00) SIGMAR1CYP2A6SLC6A4SLC6A3SLC6A2
T-817 SCHEMBL30574118 0.95 SIGMAR1 (1.00) SIGMAR1CYP2A6SLC6A4SLC6A3SLC6A2
T-817 SCHEMBL47926 0.94 SIGMAR1 (0.98) SIGMAR1CYP2A6SLC6A4SLC6A3SLC6A2
SCHEMBL48758 0.93 SIGMAR1 (0.79) SIGMAR1CYP2A6SLC6A4SLC6A3SLC6A2
SCHEMBL47992 0.93 SIGMAR1 (0.79) SIGMAR1CYP2A6SLC6A4SLC6A3SLC6A2
SCHEMBL2636085 0.93 SIGMAR1 (0.79) SIGMAR1CYP2A6SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL47946 0.92 SIGMAR1 (0.77) SIGMAR1CYP2A6SLC6A4SLC6A3SLC6A2
SCHEMBL47897 0.91 SIGMAR1 (0.80) SIGMAR1CYP2A6OPRM1OPRK1HRH3
SCHEMBL48121 0.91 SIGMAR1 (0.80) SIGMAR1CYP2A6OPRM1OPRK1HRH3

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 34 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 disclosed
US-RE43676-E1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-09-18 US disclosed
US-RE43676-E1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-09-18 US disclosed
EP-1614419-B1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-08-08 EP disclosed
US-8129535-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-8129535-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-8129535-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
EP-1514542-B1 Medicinal composition comprising Tacrine or Donepezil for improving brain function. TOYAMA CHEMICAL CO LTD (JP) 2012-02-22 EP disclosed
EP-2389937-A1 Medicinal composition for improving brain function TOYAMA CHEMICAL CO., LTD. (JP) 2011-11-30 EP disclosed
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 disclosed
EP-1437353-B1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2007-06-13 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-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-1514542-A1 MEDICINAL COMPOSITIONS IMPROVING BRAIN FUNCTION AND METHOD FOR IMPROVING BRAIN FUNCTION TOYAMA CHEMICAL CO., LTD. (JP) 2005-03-16 EP 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 (4 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 2529/4885CYP2A6 3200/4885SLC6A4 4394/4885
US-20050250843-A1 Medicinal compositions improving brain function and method for improving brain function CHRM2, ACHE, CHAT SIGMAR1 1872/4885CYP2A6 1840/4885SLC6A4 3390/4885
US-20060194781-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 SIGMAR1 1934/4885CYP2A6 3512/4885SLC6A4 3250/4885
US-20050070521-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 SIGMAR1 1934/4885CYP2A6 3512/4885SLC6A4 3250/4885

“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.