SCHEMBL10148117

SCHEMBL10148117

CC(C)C[C@H](N)[C@@H](O)CC(=O)NC(C)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
ACE P12821 1/20 0.50
PSMB5 P28074 1/20 0.49
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
LTA4H P09960 1/20 0.47
ANPEP P15144 1/20 0.47
RNPEP Q9H4A4 1/20 0.47
DNPEP Q9ULA0 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
REN P00797 2/20 0.47
MEN1 O00255 2/20 0.46
MMP1 P03956 1/20 0.46
FCER2 P06734 1/20 0.46

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
SCHEMBL14756043 0.81 NPC1 (0.69) NPC1RAB9AACEPSMB5KMT2A
SCHEMBL15116458 0.81 NPC1 (0.69) NPC1RAB9AACEPSMB5KMT2A
SCHEMBL18310372 0.79 KMT2A (0.56) PSMB5KMT2AALDH1A1LMNAANPEP
SCHEMBL7283440 0.78 BACE1 (0.59) ACEREN
Dl-Phenylalanine SCHEMBL1253618 0.77 SLC7A5 (0.59) LTA4HANPEPRNPEPDNPEP
Phenylalanine SCHEMBL1253619 0.77 SLC7A5 (0.59) LTA4HANPEPRNPEPDNPEP
Hydrochloric Acid SCHEMBL11139146 0.77 CTSD (0.60) ALDH1A1REN
Hydrochloric Acid SCHEMBL11023528 0.77 CTSD (0.60) ALDH1A1REN
SCHEMBL20054669 0.76 NPC1 (0.65) NPC1RAB9AKMT2AALDH1A1LMNA
SCHEMBL23812563 0.76 LAP3 (0.64) NPC1RAB9ALTA4HANPEPRNPEP

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 16 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-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-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-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-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-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-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
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
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-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
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 NPC1 1495/4885RAB9A 2253/4885ACE 770/4885
US-20090239949-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC6A2, SLC6A3, SLC18A2 NPC1 1495/4885RAB9A 2253/4885ACE 770/4885
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 NPC1 2023/4885RAB9A 1703/4885ACE 795/4885
US-20110213034-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC6A3, SLC6A2, SLC6A15 NPC1 1336/4885RAB9A 1791/4885ACE 650/4885
US-20080207757-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC6A2, SLC6A3, SLC18A2 NPC1 1495/4885RAB9A 2253/4885ACE 770/4885

“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.