SCHEMBL22095065

SCHEMBL22095065

Cn1nc(CN2CCOCC2)nc1-c1ccc(C(C)(C)C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.79
TMEM97 Q5BJF2 7/20 0.67

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
SCHEMBL30057760 0.88 SIGMAR1 (1.00) SIGMAR1TMEM97
SCHEMBL22095642 0.87 SIGMAR1 (0.83) SIGMAR1TMEM97
SCHEMBL22095049 0.87 SIGMAR1 (0.97) SIGMAR1TMEM97
SCHEMBL22095287 0.85 SIGMAR1 (0.79) SIGMAR1TMEM97
SCHEMBL22095614 0.83 SIGMAR1 (0.74) SIGMAR1TMEM97
SCHEMBL22095072 0.83 SIGMAR1 (0.85) SIGMAR1TMEM97
SCHEMBL22095585 0.81 SIGMAR1 (0.72) SIGMAR1TMEM97
SCHEMBL22095185 0.80 SIGMAR1 (1.00) SIGMAR1TMEM97
SCHEMBL22095080 0.80 SIGMAR1 (0.71) SIGMAR1TMEM97
SCHEMBL30058176 0.80 SIGMAR1 (0.70) SIGMAR1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363649-A1 ORGANIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2022-11-17 US claimed
EP-3893892-A1 ORGANIC COMPOUNDS Rutgers, the State University of New Jersey (US) 2021-10-20 EP claimed
WO-2020123847-A1 ORGANIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-06-18 WO claimed
US-20220363649-A1 ORGANIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2022-11-17 US disclosed
WO-2021252709-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING, AMELIORATING, AND/OR PREVENTING SIGMA RECEPTOR RELATED DISEASES AND/OR DISORDERS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-12-16 WO disclosed
EP-3893892-A1 ORGANIC COMPOUNDS Rutgers, the State University of New Jersey (US) 2021-10-20 EP disclosed
WO-2020123847-A1 ORGANIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-06-18 WO 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 (1 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-20220363649-A1 ORGANIC COMPOUNDS TRPA1, OPRL1, ALG3 SIGMAR1 451/4885TMEM97 4081/4885

“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.