SCHEMBL6328167

SCHEMBL6328167

CCCn1cnc(C[C@H](N)C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 14/20 0.64
CPB1 P15086 5/20 0.64
GRIA4 P48058 4/20 0.45
KDM5A P29375 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
CYP1A2 P05177 1/20 0.40
GRIA1 P42261 3/20 0.39
GRIA2 P42262 3/20 0.39
GRIA3 P42263 3/20 0.39

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
SCHEMBL10583023 1.00 CPB2 (0.64) CPB2CPB1GRIA4KDM5AKDM5B
SCHEMBL6057065 0.92 CPB2 (0.66) CPB2CPB1GRIA4CYP1A2GRIA1
SCHEMBL13602099 0.90 CPB2 (0.65) CPB2CPB1GRIA4CYP1A2
SCHEMBL7733278 0.89 CPB2 (0.64) CPB2CPB1GRIA4CYP1A2
SCHEMBL7741446 0.88 CPB2 (0.61) CPB2CPB1GRIA4CYP1A2GRIA1
SCHEMBL8760849 0.88 CPB2 (0.61) CPB2CPB1GRIA4CYP1A2GRIA1
SCHEMBL8348975 0.85 CPB2 (0.57) CPB2CPB1KDM5AKDM5B
Hydrochloric Acid SCHEMBL6333571 0.85 CPB2 (0.51) CPB2CPB1GRIA4CYP1A2GRIA1
SCHEMBL10137873 0.84 CPB2 (0.64) CPB2CPB1KDM5AKDM5B
SCHEMBL7741830 0.83 CPB2 (0.50) CPB2CPB1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0291626-A2 Process for the preparation of optically-active cyanomethyl esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-11-23 EP claimed
US-4570017-A Preparation of optically-active (mixed) anhydrides and acids SHELL OIL COMPANY (US) 1986-02-11 US claimed
US-4560515-A NON-SYMMETRICAL KETENE REACTED WITH A-HYDROXYNITRILE; TERTUARY AMINE CATALYST SHELL OIL COMPANY (US) 1985-12-24 US claimed
US-4529810-A Preparation of optically-active alpha-substituted carboxylic esters and acids SHELL OIL COMPANY (US) 1985-07-16 US claimed
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 claimed
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 claimed
US-20240140935-A1 NON-COVALENT DIMER CATION, SALT THEREOF, PREPARATION METHOD THEREOF, AND USE THEREOF AS ANTIOXIDANT SUZHOU PROTONATION CHAIN BIOTECHNOLOGY CO., LTD. (CN) 2024-05-02 US disclosed
CN-117820232-A Non-covalent dimer cations, salts thereof, preparation method thereof and antioxidation application thereof 苏州质子链生物技术有限公司 2024-04-05 CN disclosed
US-6919457-B2 3-(imidazolyl)-2-aminopropanoic acids PFIZER, INC. (US) 2005-07-19 US disclosed
US-20040192668-A1 3-(imidazolyl)-2-aminopropanoic acids PFIZER INC 2004-09-30 US disclosed
US-6759426-B2 RESPIRATORY SYSTREM DISORDERS; ANTIINFLAMMATORY AGENTS; RHEUMATIC DISORDERS PFIZER INC 2004-07-06 US disclosed
US-20030191107-A1 3-(Imidazolyl)-2-aminopropanoic acids PFIZER INC. 2003-10-09 US disclosed
EP-0312124-A2 Process for the preparation of optically-active cyanomethyl esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-04-19 EP disclosed
EP-0291626-A2 Process for the preparation of optically-active cyanomethyl esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-11-23 EP 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-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 (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-20240140935-A1 NON-COVALENT DIMER CATION, SALT THEREOF, PREPARATION METHOD THEREOF, AND USE THEREOF AS ANTIOXIDANT SLC10A1, CYP11B1, CYP11B2 CPB2 1513/4885CPB1 1771/4885GRIA4 1790/4885
US-20040192668-A1 3-(imidazolyl)-2-aminopropanoic acids FGB, F2, F11 CPB2 733/4885CPB1 1085/4885GRIA4 2005/4885
US-20030191107-A1 3-(Imidazolyl)-2-aminopropanoic acids FGB, F2, F11 CPB2 733/4885CPB1 1085/4885GRIA4 2005/4885

“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.