SCHEMBL396751

SCHEMBL396751

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.45
RNPEP Q9H4A4 1/20 0.39
CPB2 Q96IY4 4/20 0.39
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ALOX15 P16050 1/20 0.33
ENPEP Q07075 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
DPP7 Q9UHL4 3/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33

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
SCHEMBL5975996 0.84 GSR (0.34) GSRRNPEPCPB2SMN1; SMN2DPP7
SCHEMBL5974880 0.79 TLR2 (0.34)
SCHEMBL5975712 0.78 GSR (0.32) GSRSMN1; SMN2
SCHEMBL10098455 0.77 ALOX15 (0.46) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL17642008 0.77 GSR (0.50) GSRRNPEPCPB2CYP2D6NPSR1
SCHEMBL11158148 0.77 GSR (0.50) GSRRNPEPCPB2CYP2D6NPSR1
SCHEMBL16103746 0.77 ALOX15 (0.46) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
Urea SCHEMBL219080 0.76 GSR (0.54) GSRRNPEPCPB2CYP2D6NPSR1
SCHEMBL29061544 0.76
SCHEMBL19766750 0.74 GSR (0.41) GSRRNPEPCPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433655-A2 Homoarginine-prodrugs of amphetamine Kempharm, Inc. (US) 2012-03-28 EP disclosed
EP-2433654-A2 Citrulline and homocitrulline prodrugs of amphetamines and processes for making and using the same Kempharm, Inc. (US) 2012-03-28 EP disclosed
US-8101661-B2 Polar hydrophilic prodrugs and non-standard amino acid conjugates of amphetamine and other stimulants and processes for making and using the same KEMPHARM, INC. (US) 2012-01-24 US disclosed
US-20110213034-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SHIRE LLC 2011-09-01 US disclosed
US-20100292336-A1 Polar Hydrophilic Prodrugs and Non-Standard Amino Acid Conjugates of Amphetamine and Other Stimulants and Processes for Making and Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-18 US disclosed
US-20100292337-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SHIRE LLC 2010-11-18 US disclosed
US-7772222-B2 Polar hydrophilic prodrugs of amphetamine and other stimulants and processes for making and using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-10 US disclosed
EP-2109465-A2 POLAR HYDROPHILIC PRODRUGS OF AMPHETAMINE AND OTHER STIMULANTS AND PROCESSES FOR MAKING AND USING THE SAME Kempharm, Inc. (US) 2009-10-21 EP disclosed
US-20090239949-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SHIRE LLC 2009-09-24 US disclosed
US-20080207757-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-28 US disclosed
WO-2008098151-A2 POLAR HYDROPHILIC PRODRUGS OF AMPHETAMINE AND OTHER STIMULANTS AND PROCESSES FOR MAKING AND USING THE SAME KEMPHARM, INC. (US) 2008-08-14 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 (5 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-20100292337-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC6A2, SLC6A3, SLC18A2 GSR 3784/4885RNPEP 1675/4885CPB2 3207/4885
US-20090239949-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC6A2, SLC6A3, SLC18A2 GSR 3784/4885RNPEP 1675/4885CPB2 3207/4885
US-20100292336-A1 Polar Hydrophilic Prodrugs and Non-Standard Amino Acid Conjugates of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC18A2, SLC6A19, SLC6A2 GSR 3929/4885RNPEP 902/4885CPB2 3251/4885
US-20110213034-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC6A3, SLC6A2, SLC6A15 GSR 3531/4885RNPEP 719/4885CPB2 3302/4885
US-20080207757-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC6A2, SLC6A3, SLC18A2 GSR 3784/4885RNPEP 1675/4885CPB2 3207/4885

“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.