SCHEMBL579041

SCHEMBL579041

C[C@@H](N)Cc1ccc(OC(=O)[C@@H](N)Cc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.56
SLC6A2 P23975 2/20 0.56
TAAR1 Q96RJ0 2/20 0.56
MAOA P21397 1/20 0.56
SLC6A3 Q01959 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
CYP2A6 P11509 1/20 0.56
ADORA2A P29274 1/20 0.56
ADORA1 P30542 1/20 0.56
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC7A5 Q01650 1/20 0.51
LTA4H P09960 2/20 0.46
SLC15A1 P46059 1/20 0.45
LAP3 P28838 1/20 0.45

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
SCHEMBL1003560 0.88 SLC7A5 (0.69) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL5699042 0.88 SLC7A5 (0.69) ALPIPKMPTGS1XIAPSLC7A5
Phenylalanine SCHEMBL5608077 0.88 SLC7A5 (0.69) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1449126 0.88 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27373982 0.88 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7780318 0.88 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
Ammonia Solution, Strong SCHEMBL4780834 0.87 SLC7A5 (0.67) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL6896783 0.86 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL20898438 0.85 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6894819 0.85 LDHA (0.55) SLC6A4TAAR1ALPIPKMPTGS1

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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644019-B2 ABUSE RESISTANT AMPHETAMINE COMPOUNDS SHIRE LLC (US) 2018-02-21 EP disclosed
CN-1816346-B Abuse resistant amphetamine compounds SHIRE LLC 2013-04-17 CN disclosed
US-20120115950-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2012-05-10 US disclosed
EP-1644019-B1 ABUSE RESISTANT AMPHETAMINE COMPOUNDS SHIRE LLC (US) 2012-02-15 EP disclosed
CN-1925865-B Pharmaceutical compositions for prevention of overdose or abuse SHIRE LLC 2011-09-14 CN disclosed
US-20110009669-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2011-01-13 US disclosed
US-20100197798-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2010-08-05 US disclosed
US-7723305-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-05-25 US disclosed
US-7718619-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-05-18 US disclosed
US-7713936-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-05-11 US disclosed
WO-2006121552-A2 ABUSE-RESISTANT AMPHETAMINE PRODRUGS NEW RIVER PHARMACEUTICALS INC. (US) 2006-11-16 WO disclosed
US-7105486-B2 Administering L-lysine-d-amphetamine; attention deficit hyperactivity disorder; decreasing the bioavailability of amphetamine by intravenous or intranasal administration, further limiting their abuse liability. NEW RIVER PHARMACEUTICALS INC. (US) 2006-09-12 US disclosed
CN-1816346-A Abuse resistant amphetamine compounds NEW RIVER PHARMACEUTICALS INC (US) 2006-08-09 CN disclosed
EP-1675555-A2 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION OF OVERDOSE OR ABUSE New River Pharmaceuticals Inc. (US) 2006-07-05 EP disclosed
EP-1644019-A1 ABUSE RESISTANT AMPHETAMINE COMPOUNDS New River Pharmaceuticals Inc. (US) 2006-04-12 EP disclosed
US-20050176646-A1 Covalently bonding a narcotic to a single amino acid or an oligopeptide of 15 or fewer amino acids such that the narcotic does not release into a patient's bloodstream at levels that give rise to a euphoric or overdose level NEW RIVER PHARMACEUTICALS INC. (US) 2005-08-11 US disclosed
WO-2005032474-A2 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION OF OVERDOSE OR ABUSE NEW RIVER PHARMACEUTICALS INC. (US) 2005-04-14 WO disclosed
US-20050054561-A1 Abuse-resistant amphetamine compounds NEW RIVER PHARMACEUTICALS INC. 2005-03-10 US disclosed
US-20050038121-A1 Abuse resistant lysine amphetamine compounds NEW RIVER PHARMACEUTICALS INC. (US) 2005-02-17 US disclosed
WO-2005000334-A1 ABUSE RESISTANT AMPHETAMINE COMPOUNDS NEW RIVER PHARMACEUTICALS, INC. (US) 2005-01-06 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 (6 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-20050054561-A1 Abuse-resistant amphetamine compounds COMT, CYP3A5, SLC6A2 SLC6A4 25/4885SLC6A2 3/4885TAAR1 118/4885
US-20050038121-A1 Abuse resistant lysine amphetamine compounds COMT, KDM6B, KDM5B SLC6A4 67/4885SLC6A2 31/4885TAAR1 255/4885
US-20120115950-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 SLC6A4 41/4885SLC6A2 7/4885TAAR1 161/4885
US-20100197798-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 SLC6A4 41/4885SLC6A2 7/4885TAAR1 161/4885
US-20050176646-A1 Covalently bonding a narcotic to a single amino acid or an oligopeptide of 15 or fewer amino acids such that the narcotic does not release into a patient's bloodstream at levels that give rise to a euphoric or overdose level DNPEP, OGFR, OPRL1 SLC6A4 155/4885SLC6A2 54/4885TAAR1 244/4885
US-20110009669-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 SLC6A4 41/4885SLC6A2 7/4885TAAR1 161/4885

“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.