SCHEMBL9952947

SCHEMBL9952947

CN(C)C(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
DPP7 Q9UHL4 2/20 0.40
NPY4R P50391 9/20 0.37
NPY1R P25929 6/20 0.37
NPY2R P49146 4/20 0.37
NPY5R Q15761 4/20 0.37
OTC P00480 1/20 0.36
ALOX15 P16050 1/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DDAH1 O94760 1/20 0.35
RRM1 P23921 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
SCHEMBL27382578 1.00 NOS3 (0.41) NOS3NOS1NOS2DPP7NPY4R
Hydrochloric Acid SCHEMBL8063762 0.98 NOS3 (0.41) NOS3NOS1NOS2DPP7NPY4R
SCHEMBL475812 0.84 NOS3 (0.38) NOS3NOS1NOS2DPP7NPY4R
SCHEMBL19644274 0.84 NOS3 (0.38) NOS3NOS1NOS2DPP7NPY4R
SCHEMBL18796571 0.84 DPP7 (0.41) NOS3NOS1NOS2DPP7NPY4R
Arginine SCHEMBL27850376 0.83 NOS2 (0.57) NOS3NOS1NOS2OTCMEN1
Arginine SCHEMBL27850377 0.83 NOS2 (0.57) NOS3NOS1NOS2OTCMEN1
SCHEMBL27484222 0.83 NOS2 (0.43) NOS3NOS1NOS2DPP7NPY4R
SCHEMBL27484223 0.83 NOS2 (0.43) NOS3NOS1NOS2DPP7NPY4R
Hydrochloric Acid SCHEMBL18796570 0.83 DPP7 (0.41) NOS3NOS1NOS2DPP7NPY4R

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-20120196933-A1 MEXILETINE PRODRUGS FRANKLIN RICHARD (GB) 2012-08-02 US disclosed
WO-2012085586-A1 MEXILETINE PRODRUGS SHIRE, LLC (US) 2012-06-28 WO 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-20120196933-A1 MEXILETINE PRODRUGS SLC16A1, MTPN, SLC16A3 NOS3 4201/4885NOS1 3389/4885NOS2 3965/4885

“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.