Phenylalanine

Phenylalanine

SCHEMBL579042

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

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC6A2SLC6A3

The experimentally established mechanism targets of Phenylalanine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 2/20 0.70
SLC6A3 known ✓ Q01959 1/20 0.70
SLC7A5 Q01650 5/20 0.81
ALPI P09923 1/20 0.81
PKM P14618 1/20 0.81
PTGS1 P23219 1/20 0.81
XIAP P98170 1/20 0.81
TAAR1 Q96RJ0 2/20 0.70
MAOA P21397 1/20 0.70
SLC6A4 P31645 1/20 0.70
SIGMAR1 Q99720 1/20 0.70
CYP2A6 P11509 1/20 0.70
ADORA2A P29274 1/20 0.70
ADORA1 P30542 1/20 0.70
SLC1A3 P43003 1/20 0.59
SLC1A2 P43004 1/20 0.59
SLC1A1 P43005 1/20 0.59
NOS3 P29474 2/20 0.58
NOS1 P29475 2/20 0.58
NOS2 P35228 2/20 0.58

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
Dl-Phenylalanine SCHEMBL579040 1.00 SLC7A5 (0.81) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL14233567 0.92 SLC7A5 (0.69) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL28229442 0.91 SLC7A5 (0.85) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL2063249 0.91 SLC7A5 (0.85) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL9226754 0.91 SLC7A5 (0.85) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL3486837 0.91 SLC7A5 (0.85) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL37367 0.91 SLC7A5 (0.85) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL6033327 0.91 SLC7A5 (0.85) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL6535507 0.91 SLC7A5 (0.85) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL8910300 0.91 SLC7A5 (0.85) SLC7A5ALPIPKMPTGS1XIAP

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 90 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
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
WO-2006052880-A2 SYNERGISTIC EFFECTS OF COMBINED ADMINISTRATION OF MIRTAZAPINE AND A STIMULANT COMPOUND NEW RIVER PHARMACEUTICALS INC. (US) 2006-05-18 WO disclosed
US-20060100136-A1 Synergistic effects of combined administration of mirtazapine and a stimulant compound SHIRE LLC 2006-05-11 US 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 (7 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 SLC6A2 3/4885SLC6A3 4/4885SLC7A5 617/4885
US-20050038121-A1 Abuse resistant lysine amphetamine compounds COMT, KDM6B, KDM5B SLC6A2 31/4885SLC6A3 33/4885SLC7A5 239/4885
US-20120115950-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 SLC6A2 7/4885SLC6A3 8/4885SLC7A5 733/4885
US-20100197798-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 SLC6A2 7/4885SLC6A3 8/4885SLC7A5 733/4885
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 SLC6A2 54/4885SLC6A3 79/4885SLC7A5 106/4885
US-20060100136-A1 Synergistic effects of combined administration of mirtazapine and a stimulant compound SLC6A4, HTR5A, HTR4 SLC6A2 4/4885SLC6A3 6/4885SLC7A5 671/4885
US-20110009669-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 SLC6A2 7/4885SLC6A3 8/4885SLC7A5 733/4885

“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.