SCHEMBL9366113

SCHEMBL9366113

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 1/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
SLC7A5 Q01650 1/20 0.37
CACNA2D1 P54289 2/20 0.36
CACNB3 P54284 1/20 0.36

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
SCHEMBL16240143 1.00 BHMT (0.38) BHMTGABRPGABRDGABRA1GABRB1
SCHEMBL16240224 0.82 BHMT (0.35) BHMTGABRPGABRDGABRA1GABRB1
SCHEMBL16240225 0.82 BHMT (0.35) BHMTGABRPGABRDGABRA1GABRB1
SCHEMBL16240652 0.79 DPP4 (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16240651 0.79 DPP4 (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24964979 0.77 DPP4 (0.39) BHMTGABRPGABRDGABRA1GABRB1
SCHEMBL10349046 0.77 DPP4 (0.39) BHMTGABRPGABRDGABRA1GABRB1
SCHEMBL16171989 0.77 SLC1A3 (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31676717 0.77 SLC22A6 (0.39) BHMTGABRR1DPP4GRIK1GRIA2
Hydrochloric Acid SCHEMBL10925209 0.76 ALDH1A1 (0.33) SLC7A5SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2813558-B1 GELLING AGENT AJINOMOTO KK (JP) 2018-01-17 EP disclosed
US-9522104-B2 Gelling agent AJINOMOTO CO., INC. (JP) 2016-12-20 US disclosed
EP-2813558-A1 GELLING AGENT Ajinomoto Co., Inc. (JP) 2014-12-17 EP disclosed
US-20140341960-A1 GELLING AGENT AJINOMOTO CO., INC. (JP) 2014-11-20 US disclosed
CN-104105772-A Gelling agent AJINOMOTO KK 2014-10-15 CN disclosed
EP-0406623-B1 Polyaspartic acid derivatives as a coating for pharmaceutical forms and foodstuffs ROEHM GMBH (DE) 1994-11-30 EP disclosed
US-5175285-A POLYMERS DERIVED FROM POLYSUCCINIMIDE, USED AS SURFACE COATINGS FOR MEDICINALS AND FOODS ROHM GMBH CHEMISCHE FABRIK (DE) 1992-12-29 US disclosed
EP-0406623-A2 Polyaspartic acid derivatives as a coating for pharmaceutical forms and foodstuffs Röhm GmbH (DE) 1991-01-09 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 (1 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-20140341960-A1 GELLING AGENT CUTA, DEK, SUCLG1 BHMT 3584/4885GABRP 759/4885GABRD 430/4885

“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.