SCHEMBL9980657

SCHEMBL9980657

COc1ccc(C(=O)C2CCN(C3CN(C(=O)c4ccccc4)CCC3OC(C)=O)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 15/20 0.73
POLB P06746 1/20 0.60
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
HSD11B1 P28845 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MGLL Q99685 1/20 0.55

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
SCHEMBL9980749 0.92 SLC18A3 (0.75) SLC18A3POLBALDH1A1LMNAHSD11B1
SCHEMBL9980745 0.89 SLC18A3 (0.69) SLC18A3ALDH1A1LMNAHSD11B1SMN1; SMN2
SCHEMBL9980689 0.86 SLC18A3 (0.96) SLC18A3POLB
SCHEMBL9980908 0.84 SLC18A3 (1.00) SLC18A3POLBALDH1A1LMNA
SCHEMBL15489128 0.84 SLC18A3 (0.53) SLC18A3POLBALDH1A1LMNA
SCHEMBL1720550 0.82 POLB (0.89) SLC18A3POLBALDH1A1LMNAHSD11B1
SCHEMBL6210853 0.82 POLB (0.89) SLC18A3POLBALDH1A1LMNAHSD11B1
SCHEMBL9980695 0.82 SLC18A3 (0.71) SLC18A3ALDH1A1LMNAHSD11B1SMN1; SMN2
SCHEMBL15489132 0.78 SLC18A3 (0.55) SLC18A3POLB
SCHEMBL12031736 0.77 SLC18A3 (0.94) SLC18A3ALDH1A1LMNAHSD11B1SMN1; SMN2

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.