SCHEMBL9980745

SCHEMBL9980745

CC(=O)OC1CCN(C(=O)c2ccccc2)CC1N1CCC(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 12/20 0.69
HSD11B1 P28845 7/20 0.64
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL9980695 0.92 SLC18A3 (0.71) SLC18A3HSD11B1LMNAALDH1A1SMN1; SMN2
SCHEMBL9980657 0.89 SLC18A3 (0.73) SLC18A3HSD11B1LMNAALDH1A1SMN1; SMN2
SCHEMBL15489134 0.83 SLC18A3 (0.51) SLC18A3HSD11B1
SCHEMBL9980736 0.83 SLC18A3 (0.96) SLC18A3HSD11B1
SCHEMBL9980749 0.82 SLC18A3 (0.75) SLC18A3HSD11B1LMNAALDH1A1SMN1; SMN2
SCHEMBL9981040 0.81 SLC18A3 (1.00) SLC18A3HSD11B1
SCHEMBL5476619 0.79 HSD11B1 (0.84) SLC18A3HSD11B1KMT2A
SCHEMBL1720591 0.79 HSD11B1 (0.84) SLC18A3HSD11B1KMT2A
SCHEMBL1720014 0.79 HSD11B1 (1.00) SLC18A3HSD11B1LMNAALDH1A1SMN1; SMN2
SCHEMBL12031745 0.79 SLC18A3 (0.93) SLC18A3HSD11B1

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 248/4885HSD11B1 1775/4885LMNA 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.