SCHEMBL9980908

SCHEMBL9980908

COc1ccc(C(=O)C2CCN(C3CCN(C(=O)c4ccccc4)CC3O)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 18/20 1.00
POLB P06746 1/20 0.65
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60

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
SCHEMBL9980689 0.92 SLC18A3 (0.96) SLC18A3POLB
SCHEMBL9980781 0.91 SLC18A3 (1.00) SLC18A3POLBALDH1A1LMNA
SCHEMBL9980778 0.91 SLC18A3 (1.00) SLC18A3POLBALDH1A1LMNA
SCHEMBL9980727 0.91 SLC18A3 (0.83) SLC18A3POLBALDH1A1LMNA
SCHEMBL9980749 0.86 SLC18A3 (0.75) SLC18A3POLBALDH1A1LMNA
SCHEMBL9981040 0.86 SLC18A3 (1.00) SLC18A3
SCHEMBL1720550 0.85 POLB (0.89) SLC18A3POLBALDH1A1LMNA
SCHEMBL6210853 0.85 POLB (0.89) SLC18A3POLBALDH1A1LMNA
SCHEMBL9980657 0.84 SLC18A3 (0.73) SLC18A3POLBALDH1A1LMNA
SCHEMBL12031736 0.82 SLC18A3 (0.94) SLC18A3ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658131-B2 Compounds comprising 4-benzoylpiperidine as a sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2014-02-25 US disclosed
US-20110311447-A1 Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2011-12-22 US 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-20110311447-A1 Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand SIGMAR1, TMEM97, OPRM1 SLC18A3 248/4885POLB 2221/4885ALDH1A1 1548/4885

“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.