SCHEMBL1532962

SCHEMBL1532962

CC(C)(C)NC(=O)OC1CCN(C(=O)COCCc2ccc3sccc3c2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.46
▸ OPRM1 P35372 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ NTMT1 Q9BV86 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ CCNE1 P24864 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ THRB P10828 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ MET P08581 1/20 0.31

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
SCHEMBL1532599 0.85 SIGMAR1 (0.59) SIGMAR1OPRM1OPRK1NTMT1
SCHEMBL1532975 0.83 CHRNA7 (0.33) FFAR4CCNE1CDK2GSK3B
SCHEMBL47981 0.82 ADORA2A (0.48) SIGMAR1ADORA3ADORA2AADORA2B
SCHEMBL12341682 0.82 SIGMAR1 (0.53) SIGMAR1OPRM1OPRK1ADORA2B
SCHEMBL47941 0.81 SIGMAR1 (0.60) SIGMAR1OPRM1OPRK1ADORA2AADORA2B
SCHEMBL47910 0.81 SIGMAR1 (0.60) SIGMAR1OPRM1OPRK1ADORA2AADORA2B
SCHEMBL48170 0.81 SIGMAR1 (0.60) SIGMAR1OPRM1OPRK1ADORA2AADORA2B
SCHEMBL47978 0.79 SIGMAR1 (0.59) SIGMAR1OPRM1OPRK1SMN1; SMN2MAPT
SCHEMBL48793 0.77 SIGMAR1 (0.58) SIGMAR1OPRM1OPRK1FFAR4HCRTR1
SCHEMBL47940 0.77 SIGMAR1 (0.58) SIGMAR1OPRM1OPRK1FFAR4HCRTR1

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 2529/4885OPRM1 3166/4885OPRK1 1591/4885
US-20110112066-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF RB1, ALDH1A2, NR2E3 SIGMAR1 2529/4885OPRM1 3166/4885OPRK1 1591/4885
US-20100075941-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF RB1, ALDH1A2, NR2E3 SIGMAR1 2529/4885OPRM1 3166/4885OPRK1 1591/4885

“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.

Send feedback