SCHEMBL23913804

SCHEMBL23913804

CCN(CC)CC1C(=O)O[C@H](c2ccc3ccccc3c2)[C@@H]1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.51
SLC6A2 P23975 9/20 0.39
SLC6A3 Q01959 9/20 0.39
CYP2D6 P10635 5/20 0.36
CYP3A4 P08684 2/20 0.36
FABP7 O15540 1/20 0.34
FABP3 P05413 1/20 0.34
KCNH2 Q12809 2/20 0.33
POLB P06746 1/20 0.33
GSK3B P49841 1/20 0.33
ADK P55263 1/20 0.33
DRD2 P14416 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL23914287 1.00 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4
SCHEMBL23914286 0.87 CTRB1 (0.36) SLC6A4POLB
SCHEMBL23913813 0.77 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3GSK3BADK
SCHEMBL23914311 0.74 CTRB1 (0.35) SLC6A4SLC6A2SLC6A3
SCHEMBL23914312 0.74 CTRB1 (0.35) SLC6A4SLC6A2SLC6A3
SCHEMBL23913812 0.71 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3
SCHEMBL23914260 0.71 HDAC4 (0.39)
SCHEMBL23914420 0.71 ALDH1A1 (0.41) SLC6A4SLC6A2SLC6A3FABP7POLB
SCHEMBL23914069 0.71 ALDH1A1 (0.41) SLC6A4SLC6A2SLC6A3FABP7POLB
SCHEMBL23914401 0.66 ALDH1A1 (0.35) SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317099-A1 SAFER, POTENT, AND FAST ACTING ANTIMICROBIAL AGENTS PURDUE RESEARCH FOUNDATION (US) 2021-10-14 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-20210317099-A1 SAFER, POTENT, AND FAST ACTING ANTIMICROBIAL AGENTS MIF, LTA, MGAM SLC6A4 4444/4885SLC6A2 4850/4885SLC6A3 4632/4885

“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.