SCHEMBL16473723

SCHEMBL16473723

NCCCP(=O)(O)C(O)c1ccc(OCC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 10/20 0.58
GRM4 Q14833 10/20 0.58
GRM6 O15303 8/20 0.58
GRM7 Q14831 2/20 0.52

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
SCHEMBL13976065 0.87 GRM8 (0.78) GRM8GRM4GRM6GRM7
SCHEMBL13858661 0.87 GRM8 (0.78) GRM8GRM4GRM6GRM7
SCHEMBL16473722 0.85 GRM8 (0.51) GRM8GRM4GRM6
SCHEMBL10000478 0.84 GRM8 (0.72) GRM8GRM4GRM6GRM7
SCHEMBL16473727 0.83 GRM8 (0.49) GRM8GRM4GRM6GRM7
SCHEMBL16473725 0.82 GRM8 (0.48) GRM8GRM4GRM6
SCHEMBL16473702 0.82 GRM8 (0.56) GRM8GRM4GRM6GRM7
SCHEMBL16473701 0.81 FDPS (0.50) GRM8GRM4GRM6
SCHEMBL16473726 0.81 GRM8 (0.47) GRM8GRM4GRM6
SCHEMBL16473718 0.80 GRM8 (0.47) GRM8GRM4GRM6

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-9212196-B2 Hypophosphorous acid derivatives having antihyperalgic activity and biological applications thereof UNIVERSITE PARIS DESCARTES (FR) 2015-12-15 US disclosed
US-20140107078-A1 HYPOPHOSPHOROUS ACID DERIVATIVES HAVING ANTIHYPERALGIC ACTIVITY AND BIOLOGICAL APPLICATIONS THEREOF UNIVWESITE D"AUVERGNE (FR) 2014-04-17 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-20140107078-A1 HYPOPHOSPHOROUS ACID DERIVATIVES HAVING ANTIHYPERALGIC ACTIVITY AND BIOLOGICAL APPLICATIONS THEREOF HCAR3, HRH3, SSTR3 GRM8 1721/4885GRM4 1028/4885GRM6 1252/4885

“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.