SCHEMBL9980674

SCHEMBL9980674

COc1ccc(C(=O)C2CCN(C3CCNCC3O)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 19/20 0.61
DRD2 P14416 1/20 0.56
POLB P06746 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
SCHEMBL15489130 0.91 SLC18A3 (0.61) SLC18A3DRD2POLB
SCHEMBL9980735 0.84 SLC18A3 (0.62) SLC18A3DRD2
SCHEMBL230405 0.78 NPC1 (0.71) POLB
SCHEMBL12031776 0.78 SLC18A3 (0.75) SLC18A3
Hydrochloric Acid SCHEMBL518416 0.77 KMT2A (0.69) POLB
Bromide SCHEMBL7247705 0.77 NPC1 (0.69) POLB
SCHEMBL9980692 0.76 SLC18A3 (1.00) SLC18A3DRD2
SCHEMBL9980908 0.75 SLC18A3 (1.00) SLC18A3POLB
SCHEMBL15489129 0.75 SLC18A3 (0.61) SLC18A3DRD2
SCHEMBL9980727 0.74 SLC18A3 (0.83) SLC18A3POLB

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 3 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-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 248/4885DRD2 25/4885POLB 2221/4885

“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.