SCHEMBL52216

SCHEMBL52216

Cn1cnc(C[C@H](N)C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
MTOR P42345 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.44
CPB2 Q96IY4 9/20 0.43
CPB1 P15086 4/20 0.43
GRIA1 P42261 4/20 0.43
GRIA2 P42262 4/20 0.43
GRIA3 P42263 4/20 0.43
GRIA4 P48058 4/20 0.43
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
SLC1A3 P43003 1/20 0.41

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
SCHEMBL163222 1.00 CYP2C9 (0.47) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL52215 1.00 CYP2C9 (0.47) CYP2C9TSHRCYP2C19MTORHRH4
Hydrochloric Acid SCHEMBL3843450 0.98 TDP1 (0.49) CYP2C9TSHRCYP2C19MTORHRH4
Histidine SCHEMBL11520178 0.89 CYP2C9 (0.39) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL27579768 0.89 CPB2 (0.39) CYP2C9TSHRCYP2C19MTORHRH4
Meglutol SCHEMBL16914938 0.88 CPB2 (0.39) CYP2C9TSHRCYP2C19MTORHRH4
Meglutol SCHEMBL16914940 0.88 CPB2 (0.39) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL5717645 0.87 CYP2C9 (0.47) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL15132911 0.87 CYP2C9 (0.47) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL3627144 0.87 SLC1A3 (0.41) CYP2C9TSHRCYP2C19MTORHRH4

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

Appears in 6856 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747627-A1 METHODS AND SYSTEMS FOR PREDICTIVE CLASSIFICATION BY MASS SPECTROMETRY AND TRAINED LARGE SPECTRAL MODELS Matterworks Inc (US) 2026-05-27 EP claimed
WO-2026100273-A1 METHOD FOR PRODUCING USEFUL SUBSTANCE, CULTURE SOLUTION FOR CULTURING ALGAE, APPARATUS FOR PRODUCING USEFUL SUBSTANCE, AND ALGAE CONTAINING USEFUL SUBSTANCE NTT株式会社 2026-05-15 WO claimed
EP-3869192-B1 METHOD FOR QUANTITATIVE DETECTION OF VARIOUS METABOLITES IN BIOLOGICAL SAMPLE HUMAN METABOLOMICS INST INC (CN) 2026-05-13 EP claimed
EP-4720086-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR Zealand Pharma A/S (DK) 2026-04-08 EP claimed
EP-4720087-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR Zealand Pharma A/S (DK) 2026-04-08 EP claimed
US-20260091067-A1 METHODS AND USES OF MICROBIOME COMPOSITIONS, COMPONENTS, OR METABOLITES FOR TREATING INSULIN-ASSOCIATED DISEASES MARVELBIOME INC (US) 2026-04-02 US claimed
US-12428447-B2 Peptide-based non-proteinaceous cargo delivery FELDAN BIO INC. (CA) 2025-09-30 US claimed
US-20250258146-A1 QUANTITATIVE DETECTION METHOD OF MULTIPLE METABOLITES IN BIOLOGICAL SAMPLE AND METABOLIC CHIP HUMAN METABOLOMICS INSTITUTE INC. (CN) 2025-08-14 US claimed
US-20250243472-A1 MODIFIED HELICASES OXFORD NANOPORE TECHNOLOGIES PLC (GB) 2025-07-31 US claimed
EP-4587116-A2 METHODS AND USES OF MICROBIOME COMPOSITIONS, COMPONENTS, OR METABOLITES FOR TREATING INSULIN-ASSOCIATED DISEASES MarvelBiome, Inc. (US) 2025-07-23 EP claimed
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
EP-0255082-A2 Renin-inhibiting di- and tripeptides, methods for their production, drugs containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-03 EP claimed
EP-0239874-A2 Substituted derivatives of 4-amino-3-hydroxy-butyric acid, process for their production, medicines containing them, and their application HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-07 EP claimed
EP-0230242-A2 Substituted derivatives of 4-amino-3-hydroxy-butyric acid, process for their production, medicines containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-29 EP claimed
EP-0173481-A2 Peptides THE UPJOHN COMPANY (US) 1986-03-05 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