SCHEMBL1532599

SCHEMBL1532599

CC(C)(C)NC(=O)OC1CCN(CCCOCCc2ccc3sccc3c2)C1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.59
NTMT1 Q9BV86 2/20 0.38
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.34
MCHR2 Q969V1 1/20 0.34
MCHR1 Q99705 1/20 0.34
CCR3 P51677 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
SCHEMBL1532962 0.85 SIGMAR1 (0.46) SIGMAR1NTMT1OPRM1OPRK1
SCHEMBL47943 0.85 SIGMAR1 (0.63) SIGMAR1OPRM1OPRK1KCNH2MCHR2
SCHEMBL47817 0.85 SIGMAR1 (0.63) SIGMAR1OPRM1OPRK1KCNH2MCHR2
SCHEMBL47933 0.85 SIGMAR1 (0.63) SIGMAR1OPRM1OPRK1KCNH2MCHR2
SCHEMBL48309 0.82 SIGMAR1 (0.68) SIGMAR1OPRM1OPRK1
SCHEMBL48044 0.82 SIGMAR1 (0.67) SIGMAR1OPRM1OPRK1KCNH2MCHR2
SCHEMBL47911 0.81 SIGMAR1 (0.59) SIGMAR1KCNH2MCHR2MCHR1
SCHEMBL47955 0.81 SIGMAR1 (0.70) SIGMAR1OPRM1OPRK1KCNH2MCHR2
SCHEMBL48025 0.81 SIGMAR1 (0.72) SIGMAR1OPRM1OPRK1
SCHEMBL48203 0.80 SIGMAR1 (0.64) SIGMAR1OPRM1OPRK1KCNH2MCHR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

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-20060205709-A1 Preventive/remedy for retinal nerve diseases containing alkyl ether derivatives or salts thereof RB1, ALDH1A2, NR2E3 SIGMAR1 2529/4885NTMT1 3218/4885OPRM1 3166/4885
US-20110112066-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF RB1, ALDH1A2, NR2E3 SIGMAR1 2529/4885NTMT1 3218/4885OPRM1 3166/4885
US-20100075941-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF RB1, ALDH1A2, NR2E3 SIGMAR1 2529/4885NTMT1 3218/4885OPRM1 3166/4885

“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.