SCHEMBL3382202

SCHEMBL3382202

NCCCC[C@@H](C(=O)O)N(Cl)Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.52
RNPEP Q9H4A4 1/20 0.50
CPB2 Q96IY4 7/20 0.46
FOLH1 Q04609 1/20 0.40
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
BLM P54132 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.37
THRB P10828 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PLG P00747 1/20 0.37
ALOX15 P16050 1/20 0.37
SLC6A2 P23975 1/20 0.37
RECQL P46063 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CPB1 P15086 1/20 0.36
GABRR1 P24046 3/20 0.35

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
SCHEMBL3382199 1.00 GSR (0.52) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL3380824 0.94 CPB2 (0.45) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL3380820 0.94 CPB2 (0.45) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL3380827 0.94 CPB2 (0.45) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL3379275 0.86 GSR (0.50) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL3379272 0.86 GSR (0.50) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL18531957 0.86 GSR (0.50) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL11711858 0.84 GPR84 (0.33) GSRBLMLMNA
SCHEMBL3379369 0.84 GSR (0.48) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL3379367 0.84 GSR (0.48) GSRRNPEPCPB2FOLH1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP claimed
US-20080287866-A1 Methods and compositions for the treatment of pain HELLER ADAM 2008-11-20 US claimed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 WO claimed
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed
EP-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP disclosed
US-20080287866-A1 Methods and compositions for the treatment of pain HELLER ADAM 2008-11-20 US disclosed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 WO disclosed
US-4015008-A N,N-dichloro substituted aminocarboxylic acids as microbiocides NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1977-03-29 US disclosed
US-3950536-A N,N-Dichloro substituted aminocarboxylic acids as bactericides and fungicides BARER SOL JOSEPH 1976-04-13 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-20080287866-A1 Methods and compositions for the treatment of pain ACHE, S100P, P2RX3 GSR 1338/4885RNPEP 1460/4885CPB2 1583/4885

“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.