SCHEMBL22095181

SCHEMBL22095181

Cn1nc(CN2CCCC2)nc1-c1ccc(C2CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 7/20 1.00
SIGMAR1 Q99720 13/20 0.90

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
SCHEMBL22095277 0.95 SIGMAR1 (1.00) TMEM97SIGMAR1
SCHEMBL22095231 0.85 SIGMAR1 (0.79) TMEM97SIGMAR1
SCHEMBL30058788 0.82 SIGMAR1 (0.76) TMEM97SIGMAR1
SCHEMBL30056578 0.82 SIGMAR1 (1.00) TMEM97SIGMAR1
SCHEMBL30057760 0.80 SIGMAR1 (1.00) TMEM97SIGMAR1
SCHEMBL22095298 0.80 SIGMAR1 (1.00) TMEM97SIGMAR1
SCHEMBL22095049 0.79 SIGMAR1 (0.97) TMEM97SIGMAR1
SCHEMBL22095266 0.79 SIGMAR1 (0.70) TMEM97SIGMAR1
SCHEMBL22095095 0.79 SIGMAR1 (1.00) TMEM97SIGMAR1
SCHEMBL30057639 0.78 SIGMAR1 (0.73) TMEM97SIGMAR1

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 4 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
US-20220363649-A1 ORGANIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2022-11-17 US 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 TMEM97 4081/4885SIGMAR1 451/4885

“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.