SCHEMBL48203

SCHEMBL48203

CC(=O)NC1CCN(CCCOCCc2ccc3sccc3c2)C1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.64
LTA4H P09960 7/20 0.47
KCNH2 Q12809 3/20 0.42
MCHR1 Q99705 4/20 0.41
MCHR2 Q969V1 1/20 0.41
HRH2 P25021 5/20 0.40
HRH1 P35367 5/20 0.40
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38

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 SCHEMBL47855 0.99 SIGMAR1 (0.63) SIGMAR1LTA4HKCNH2MCHR1MCHR2
SCHEMBL48055 0.93 SIGMAR1 (0.71) SIGMAR1LTA4HKCNH2MCHR1MCHR2
SCHEMBL47911 0.89 SIGMAR1 (0.59) SIGMAR1LTA4HKCNH2MCHR1MCHR2
SCHEMBL48296 0.87 SIGMAR1 (0.64) SIGMAR1LTA4HKCNH2MCHR1MCHR2
SCHEMBL47984 0.85 SIGMAR1 (0.64) SIGMAR1MCHR1HRH2HRH1
Oxalic Acid SCHEMBL48085 0.85 SIGMAR1 (0.62) SIGMAR1KCNH2MCHR1MCHR2HRH2
SCHEMBL48249 0.82 SIGMAR1 (0.85) SIGMAR1LTA4HHRH2HRH1OPRM1
Hydrochloric Acid SCHEMBL47919 0.81 SIGMAR1 (0.84) SIGMAR1LTA4HHRH2HRH1OPRM1
Oxalic Acid SCHEMBL48295 0.81 SIGMAR1 (0.67) SIGMAR1LTA4HKCNH2MCHR1MCHR2
SCHEMBL47955 0.81 SIGMAR1 (0.70) SIGMAR1KCNH2MCHR1MCHR2OPRM1

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 23 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
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
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
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 disclosed
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 disclosed
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 disclosed
US-7468443-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-23 US disclosed
US-7468443-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-23 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-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 2529/4885LTA4H 2227/4885KCNH2 201/4885
US-20110112066-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF RB1, ALDH1A2, NR2E3 SIGMAR1 2529/4885LTA4H 2227/4885KCNH2 201/4885
US-20060194781-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 SIGMAR1 1934/4885LTA4H 3413/4885KCNH2 63/4885
US-20100075941-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF RB1, ALDH1A2, NR2E3 SIGMAR1 2529/4885LTA4H 2227/4885KCNH2 201/4885
US-20050070521-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 SIGMAR1 1934/4885LTA4H 3413/4885KCNH2 63/4885

“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.