SCHEMBL1844896

SCHEMBL1844896

CC(Cc1ccccc1)NC(=O)C(N)CCCN

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.59
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ LMNA P02545 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.49
▸ ANPEP P15144 1/20 0.48
▸ RNPEP Q9H4A4 1/20 0.48
▸ DNPEP Q9ULA0 1/20 0.48
▸ LTA4H P09960 1/20 0.47
▸ CTSC P53634 2/20 0.47
▸ CTRB1 P17538 3/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 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
Lisdexamfetamine SCHEMBL12947679 0.96 MMP2 (0.64) MMP2NPC1RAB9ALMNATAAR1
Lisdexamfetamine SCHEMBL25674417 0.96 MMP2 (0.64) MMP2NPC1RAB9ALMNATAAR1
Lisdexamfetamine SCHEMBL31173641 0.96 MMP2 (0.64) MMP2NPC1RAB9ALMNATAAR1
Lisdexamfetamine SCHEMBL579061 0.96 MMP2 (0.64) MMP2NPC1RAB9ALMNATAAR1
Lisdexamfetamine SCHEMBL7919487 0.96 MMP2 (0.64) MMP2NPC1RAB9ALMNATAAR1
Lisdexamfetamine SCHEMBL31439237 0.96 MMP2 (0.64) MMP2NPC1RAB9ALMNATAAR1
Lisdexamfetamine SCHEMBL158949 0.96 MMP2 (0.64) MMP2NPC1RAB9ALMNATAAR1
SCHEMBL21657924 0.95 MMP2 (0.63) MMP2NPC1RAB9ALMNATAAR1
Lisdexamfetamine SCHEMBL678421 0.91 MMP2 (0.59) MMP2NPC1RAB9ALMNATAAR1
Lisdexamfetamine SCHEMBL29124173 0.91 MMP2 (0.59) MMP2NPC1RAB9ALMNATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2101571-B1 ORNITHINE CONJUGATES OF AMPHETAMINE AND PROCESSES FOR MAKING AND USING THE SAME KEMPHARM INC (US) 2011-05-18 — — EP 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-7776917-B2 Non-standard amino acid conjugates of amphetamine and processes for making and using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-17 — — US disclosed
US-7776917-B2 Non-standard amino acid conjugates of amphetamine and processes for making and using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-17 — — US disclosed
US-7776917-B2 Non-standard amino acid conjugates of amphetamine and processes for making and using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-17 — — US disclosed
EP-2101571-A1 NON-STANDARD AMINO ACID CONJUGATES OF AMPHETAMINE AND PROCESSES FOR MAKING AND USING THE SAME Kempharm, Inc. (US) 2009-09-23 — — EP disclosed
US-20090234018-A1 Non-Standard Amino Acid Conjugates of Amphetamine and Processes for Making and Using the Same SHIRE LLC 2009-09-17 — — US disclosed
US-20090234018-A1 Non-Standard Amino Acid Conjugates of Amphetamine and Processes for Making and Using the Same SHIRE LLC 2009-09-17 — — US disclosed
US-20090234018-A1 Non-Standard Amino Acid Conjugates of Amphetamine and Processes for Making and Using the Same SHIRE LLC 2009-09-17 — — US disclosed
WO-2008073918-A1 NON-STANDARD AMINO ACID CONJUGATES OF AMPHETAMINE AND PROCESSES FOR MAKING AND USING THE SAME KEMPHARM, INC. (US) 2008-06-19 — — WO disclosed
WO-2008073918-A1 NON-STANDARD AMINO ACID CONJUGATES OF AMPHETAMINE AND PROCESSES FOR MAKING AND USING THE SAME KEMPHARM, INC. (US) 2008-06-19 — — WO disclosed
US-20080139653-A1 Non-standard amino acid conjugates of amphetamine and processes for making and using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-06-12 — — US disclosed
US-20080139653-A1 Non-standard amino acid conjugates of amphetamine and processes for making and using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-06-12 — — US disclosed
US-20080139653-A1 Non-standard amino acid conjugates of amphetamine and processes for making and using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-06-12 — — 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 (3 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-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 MMP2 2667/4885NPC1 2023/4885RAB9A 1703/4885
US-20090234018-A1 Non-Standard Amino Acid Conjugates of Amphetamine and Processes for Making and Using the Same SLC6A3, AADAT, SLC6A2 MMP2 2552/4885NPC1 2237/4885RAB9A 1414/4885
US-20080139653-A1 Non-standard amino acid conjugates of amphetamine and processes for making and using the same SLC6A3, AADAT, SLC6A2 MMP2 2552/4885NPC1 2237/4885RAB9A 1414/4885

“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.

Send feedback