SCHEMBL578977

SCHEMBL578977

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.48
▸ ITGA2B P08514 1/20 0.48
▸ SLC6A4 P31645 1/20 0.46
▸ THRB P10828 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ TAAR1 Q96RJ0 3/20 0.41
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ PTGS2 P35354 1/20 0.40

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
SCHEMBL571283 0.86 ITGB3 (0.65) ITGB3ITGA2BTHRBMMP2SLC6A3
Leucine SCHEMBL4586599 0.84 ITGB3 (0.56) ITGB3ITGA2BTHRBMMP2LTA4H
SCHEMBL16124585 0.84 THRB (0.48) ITGB3ITGA2BTHRBLTA4HPTGS2
SCHEMBL14677041 0.84 CYP1A2 (0.43) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL14677015 0.83 CYP1A2 (0.42) SLC6A4SLC6A2SLC6A3
SCHEMBL16124583 0.83 THRB (0.47) ITGB3ITGA2BTHRBLTA4H
Lysine SCHEMBL1921517 0.82 ITGB3 (0.60) ITGB3ITGA2BTHRBMMP2LTA4H
Tyrosine SCHEMBL3485476 0.82 ITGB3 (0.60) ITGB3ITGA2BTHRBMMP2LTA4H
Lysine SCHEMBL4198912 0.81 ITGB3 (0.53) ITGB3ITGA2BTHRBMMP2LTA4H
SCHEMBL578906 0.81 SLC6A4 (0.53) SLC6A4TAAR1SLC6A2SLC6A3PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116710084-A Use of mGluR5 antagonists for the treatment of amphetamine addiction 诺华股份有限公司 2023-09-05 — — CN claimed
CN-109912683-B Cytotoxin molecule, conjugate, preparation method and application thereof 杭州多禧生物科技有限公司 2023-01-06 — — CN claimed
CN-112533595-A Method for treating substance abuse 感知神经科学公司 2021-03-19 — — CN claimed
CN-110191706-A The treatment method for treating lidocaine invalid illness and hypokalemia illness 阿卡利德公司 2019-08-30 — — CN claimed
CN-110167562-A DMPC, DMPG, DMPC/DMPG, LYSOPG and LYSOPC are directed to the protective effect for causing the drug of ion channel disease 萨恩帕斯药物有限公司 2019-08-23 — — CN claimed
CN-106163514-B Agent for preventing and treating attention deficit and hyperactivity disorder 藤本株式会社 2019-07-19 — — CN claimed
CN-109843331-A Protective effects of DMPC, DMPG, DMPC/DMPG, LYSOPG and LYSOPC against drugs causing ion channel diseases 萨恩帕斯药物有限公司 2019-06-04 — — CN claimed
CN-103221535-A Use of adenosine receptor signaling to modulate blood brain barrier permeability UNIV CORNELL 2013-07-24 — — CN claimed
CN-118338916-A Multifunctional compounds for use in medical imaging and therapy 安特络手术解决方案公司 2024-07-12 — — CN disclosed
CN-112964625-B Cell population analysis 英国质谱公司 2024-06-07 — — CN disclosed
CN-118121577-A Method for treating substance abuse 感知神经科学公司 2024-06-04 — — CN disclosed
CN-117529665-A Amphetamine carbamate compounds and methods 诺芬药品公司 2024-02-06 — — CN disclosed
CN-111699250-B Carboxylesterase polypeptides for amide coupling 科德克希思公司 2024-01-09 — — CN disclosed
CN-117295710-A MDMA enantiomer 思维医学股份有限公司 2023-12-26 — — CN 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
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 (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-20050054561-A1 Abuse-resistant amphetamine compounds COMT, CYP3A5, SLC6A2 ITGB3 2842/4885ITGA2B 3373/4885SLC6A4 25/4885
US-20050038121-A1 Abuse resistant lysine amphetamine compounds COMT, KDM6B, KDM5B ITGB3 2591/4885ITGA2B 2640/4885SLC6A4 67/4885
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 ITGB3 2428/4885ITGA2B 2529/4885SLC6A4 155/4885

“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.

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