SCHEMBL60354

SCHEMBL60354

NCCC[C@H](N)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.46
LMNA P02545 3/20 0.44
GABRR1 P24046 3/20 0.44
THRB P10828 2/20 0.44
BLM P54132 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GABRR3 A8MPY1 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
HDAC3 O15379 1/20 0.44
GABBR2 O75899 1/20 0.44
CYP1A2 P05177 1/20 0.44
GABRA1 P14867 1/20 0.44
TSHR P16473 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRR2 P28476 1/20 0.44
SLC6A1 P30531 1/20 0.44

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
SCHEMBL562061 1.00 GSR (0.46) GSRLMNAGABRR1THRBBLM
SCHEMBL159650 1.00 GSR (0.46) GSRLMNAGABRR1THRBBLM
SCHEMBL288689 1.00 GSR (0.46) GSRLMNAGABRR1THRBBLM
Ammonia Solution, Strong SCHEMBL8677036 0.98 GSR (0.45) GSRLMNAGABRR1THRBBLM
Hydrochloric Acid SCHEMBL31510869 0.98 GSR (0.45) GSRLMNAGABRR1THRBBLM
SCHEMBL30514395 0.93 GSR (0.56) GSRLMNAGABRR1THRBBLM
SCHEMBL284983 0.93 GSR (0.56) GSRLMNAGABRR1THRBBLM
SCHEMBL289144 0.93 GSR (0.56) GSRLMNAGABRR1THRBBLM
Propionic Acid SCHEMBL29234998 0.92 S1PR2 (0.45) GSRLMNAGABRR1THRBBLM
SCHEMBL288798 0.91 GSR (0.54) GSRLMNAGABRR1THRBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119735515-A Preparation method of (S) -3, 6-diaminocaproate 联化昂健医药科技(上海)有限公司 2025-04-01 CN claimed
CN-119409964-A Epsilon-poly-L-lysine derivative with click function, preparation method and application thereof 公立大学法人福井县立大学 2025-02-11 CN claimed
US-20230405091-A1 METHODS OF MODULATING GASTROINTESTINAL METABOLITES DSM IP ASSETS B.V. (NL) 2023-12-21 US claimed
EP-4228424-A1 METHODS OF MODULATING GASTROINTESTINAL METABOLITES DSM IP Assets B.V. (NL) 2023-08-23 EP claimed
CN-116390651-A Methods of modulating gastrointestinal metabolites 帝斯曼知识产权资产管理有限公司 2023-07-04 CN claimed
US-20230200412-A1 METHODS OF MODULATING GASTROINTESTINAL MICROBIAL METABOLIC PATHWAYS AND METABOLITES DSM IP ASSETS B.V. (NL) 2023-06-29 US claimed
EP-4118090-A1 METHODS OF MODULATING GASTROINTESTINAL MICROBIAL METABOLIC PATHWAYS AND METABOLITES DSM IP Assets B.V. (NL) 2023-01-18 EP claimed
WO-2022079238-A1 METHODS OF MODULATING GASTROINTESTINAL METABOLITES DSM IP ASSETS B.V. (NL) 2022-04-21 WO claimed
EP-2836485-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2018-01-10 EP claimed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 US claimed
EP-2499148-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-01-18 EP claimed
US-9512139-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2016-12-06 US claimed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 US claimed
EP-2836485-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2015-02-18 EP claimed
EP-2462147-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2014-11-12 EP claimed
WO-2013139697-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2013-09-26 WO claimed
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-10-25 US claimed
EP-2499148-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2012-09-19 EP claimed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 US claimed
WO-2011014973-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2011-02-10 WO claimed

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-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A GSR 608/4885LMNA 2246/4885GABRR1 335/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 GSR 4365/4885LMNA 2161/4885GABRR1 1181/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS GSR 2122/4885LMNA 2799/4885GABRR1 631/4885

“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.