SCHEMBL15084686

SCHEMBL15084686

CN(C(=O)OP)[C@H]1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.44
SLC6A2 P23975 17/20 0.44
KCNH2 Q12809 3/20 0.44
SLC6A3 Q01959 12/20 0.39
CYP2D6 P10635 4/20 0.39
CHRM3 P20309 1/20 0.38
MCHR1 Q99705 1/20 0.34

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
SCHEMBL14224580 0.84 SLC6A4 (0.48) SLC6A4SLC6A2KCNH2SLC6A3CYP2D6
SCHEMBL14222789 0.84 SLC6A4 (0.48) SLC6A4SLC6A2KCNH2SLC6A3CYP2D6
SCHEMBL14224510 0.84 SLC6A4 (0.48) SLC6A4SLC6A2KCNH2SLC6A3CYP2D6
SCHEMBL20066135 0.81 SLC6A4 (0.51) SLC6A4SLC6A2KCNH2SLC6A3CYP2D6
SCHEMBL181909 0.79 SLC6A4 (0.42) SLC6A4SLC6A2KCNH2SLC6A3CYP2D6
SCHEMBL1033810 0.79 SLC6A4 (0.42) SLC6A4SLC6A2KCNH2SLC6A3CYP2D6
SCHEMBL65492 0.79 SLC6A4 (0.42) SLC6A4SLC6A2KCNH2SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL25408690 0.78 SLC6A4 (0.41) SLC6A4SLC6A2KCNH2SLC6A3CYP2D6
Ammonia Solution, Strong SCHEMBL19410295 0.78 SLC6A4 (0.41) SLC6A4SLC6A2KCNH2SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL31485474 0.78 SLC6A4 (0.41) SLC6A4SLC6A2KCNH2SLC6A3CYP2D6

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-20130172313-A1 Carbapenem Antibacterials with Gram-Negative Activity FOB SYNTHESIS, INC. (US) 2013-07-04 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-20130172313-A1 Carbapenem Antibacterials with Gram-Negative Activity MGAM, GSK3B, GSK3A SLC6A4 3682/4885SLC6A2 2589/4885KCNH2 1105/4885

“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.