SCHEMBL3846866

SCHEMBL3846866

COC(=O)[C@H](N)Cc1cnc[nH]1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.67
▸ SLC7A5 Q01650 1/20 0.67
▸ HRH4 Q9H3N8 3/20 0.56
▸ HRH3 Q9Y5N1 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ GLA P06280 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ THPO P40225 1/20 0.56
▸ LMNA P02545 1/20 0.54
▸ APEX1 P27695 1/20 0.54
▸ BLM P54132 1/20 0.54

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
SCHEMBL262239 1.00 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL1581156 1.00 CYP3A4 (0.67) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL27541751 0.98 CYP3A4 (0.65) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL7321531 0.98 CYP3A4 (0.65) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL1532534 0.98 CYP3A4 (0.65) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Hydrochloric Acid SCHEMBL27415903 0.98 CYP3A4 (0.65) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL27489002 0.93 CYP3A4 (0.76) CYP3A4SLC7A5HRH4HRH3ALDH1A1
Histidine SCHEMBL27511747 0.93 CYP3A4 (0.76) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL388562 0.89 CYP3A4 (0.73) CYP3A4SLC7A5HRH4HRH3ALDH1A1
SCHEMBL163444 0.87 CYP3A4 (0.71) CYP3A4SLC7A5HRH4HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023238167-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING CORONAVIRUS DISEASE AND METHODS OF PREPARATION THEREOF APPLIED SCIENCE PRIVATE UNIVERSITY (JO) 2023-12-14 — — WO disclosed
WO-2021107122-A1 HYPOXIA RESPONSE CONTROL BY SPECIFIC AMINO ACID OR AMINO ACID-LIKE SUBSTANCE 学校法人慶應義塾 2021-06-03 — — WO disclosed
US-9918964-B2 Reducing platelet activation, aggregation and platelet-stimulated thrombosis or blood coagulation by reducing mitochondrial respiration THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-03-20 — — US disclosed
EP-2035444-B1 DIPEPTIDE COMPOUNDS CONTAINING D-HISTIDINE FLAMMA SPA (IT) 2015-09-02 — — EP disclosed
US-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration STANFORD UNIVERSITY (US) 2011-12-08 — — US disclosed
US-20090306165-A1 DIPEPTIDE COMPOUNDS CONTAINING D-HISTIDINE FLAMMA S.P.A. (IT) 2009-12-10 — — US disclosed
EP-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 — — EP disclosed
US-6960587-B2 Condensed pyrazindione derivatives as PDE inhibitors LILLY ICOS LLC (US) 2005-11-01 — — US disclosed
US-6949577-B2 Pharmaceuticals PFIZER, INC. (US) 2005-09-27 — — US disclosed
EP-1366050-B1 CONDENSED PYRAZINDIONE DERIVATIVES AS PDE INHIBITORS LILLY ICOS LLC (US) 2005-04-13 — — EP disclosed
US-4772721-A INTERMEDIATES FOR PROTEINS, ENZYMES DIAMALT AG (DE) 1988-09-20 — — US disclosed
US-4723027-A TREATING AN ALDEHYDE WITH HYDROGEN CYANIDE IN THE PRESENCE OF CYCLO(D-PHENYLALANYL-D-HISTIDINE)CATALYST E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-02-02 — — US disclosed
US-4681947-A NONSYMMETRICAL KETENE, ALPHA-HYDROXY NITRILE OR ALDEHYDE AND CYANIDE, CYCLO(D-PHENYLALANYL-D-HISTADINE) E.I. DU PONT DE NEMOURS AND COMPANY 1987-07-21 — — US disclosed
US-4594196-A Reacting corresponding aldehyde with hydrogen cyanide in presence of aprotic solvent and catalyst SHELL OIL COMPANY (US) 1986-06-10 — — US disclosed
US-4582646-A REACTING A NON-SYMMETRICAL KETENE WITH A RACEMIC OR OPTICALLY ACTIVE ALPHA-HYDROXYNITRILE SHELL OIL COMPANY (US) 1986-04-15 — — US disclosed
US-4570017-A Preparation of optically-active (mixed) anhydrides and acids SHELL OIL COMPANY (US) 1986-02-11 — — US disclosed
US-4560515-A NON-SYMMETRICAL KETENE REACTED WITH A-HYDROXYNITRILE; TERTUARY AMINE CATALYST SHELL OIL COMPANY (US) 1985-12-24 — — US disclosed
US-4529810-A Preparation of optically-active alpha-substituted carboxylic esters and acids SHELL OIL COMPANY (US) 1985-07-16 — — US disclosed
EP-0116914-A1 Preparation of optically-active alpha-substituted carboxylic esters and acids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-29 — — EP disclosed
EP-0109681-A2 process for the preparation of optically-active cyanomethyl esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-30 — — EP 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 (2 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-20090306165-A1 DIPEPTIDE COMPOUNDS CONTAINING D-HISTIDINE FOLH1, SLC7A1, HNMT CYP3A4 1600/4885SLC7A5 12/4885HRH4 132/4885
US-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration PC, PFKP, UQCRC1 CYP3A4 338/4885SLC7A5 4466/4885HRH4 1576/4885

“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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