SCHEMBL9980778

SCHEMBL9980778

COc1ccc(C(=O)C2CCN(C3CCN(C(=O)c4ccc(F)cc4)CC3O)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 17/20 1.00
ALDH1A1 P00352 1/20 0.74
LMNA P02545 1/20 0.74
HSD11B1 P28845 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
DRD2 P14416 1/20 0.71
POLB P06746 1/20 0.64

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
SCHEMBL9980781 1.00 SLC18A3 (1.00) SLC18A3ALDH1A1LMNAHSD11B1SMN1; SMN2
SCHEMBL12031743 0.92 SLC18A3 (0.94) SLC18A3ALDH1A1LMNAHSD11B1SMN1; SMN2
SCHEMBL12031736 0.92 SLC18A3 (0.94) SLC18A3ALDH1A1LMNAHSD11B1SMN1; SMN2
SCHEMBL9980908 0.91 SLC18A3 (1.00) SLC18A3ALDH1A1LMNAPOLB
SCHEMBL9980727 0.90 SLC18A3 (0.83) SLC18A3ALDH1A1LMNAPOLB
SCHEMBL9981040 0.87 SLC18A3 (1.00) SLC18A3HSD11B1
SCHEMBL9980806 0.86 SLC18A3 (0.89) SLC18A3HSD11B1DRD2POLB
SCHEMBL6210639 0.86 HSD11B1 (1.00) SLC18A3ALDH1A1LMNAHSD11B1SMN1; SMN2
SCHEMBL15489121 0.84 SLC18A3 (0.80) SLC18A3HSD11B1DRD2
SCHEMBL9980708 0.83 SLC18A3 (1.00) SLC18A3DRD2

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 248/4885ALDH1A1 1548/4885LMNA 4446/4885

“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.