Gamma-Aminobutyric Acid

Gamma-Aminobutyric Acid

SCHEMBL5482454

NCCCC(=O)O.O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1CO

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 3/20 0.39
CRBN Q96SW2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CHRM2 P08172 1/20 0.39
OPRM1 P35372 1/20 0.39
IKZF3 Q9UKT9 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
PTGER4 P35408 2/20 0.36
MAP1LC3B Q9GZQ8 3/20 0.35
PTGER2 P43116 1/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 1/20 0.35
ACE P12821 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL2919642 0.86 CRBN (0.50) DDB1CRBNALDH1A1CHRM2OPRM1
SCHEMBL5475099 0.82 CYP1A2 (0.39) DDB1CRBNALDH1A1CHRM2OPRM1
Glycine SCHEMBL4929867 0.81 DDB1 (0.41) DDB1CRBNALDH1A1CHRM2OPRM1
SCHEMBL5472151 0.79 CRBN (0.47) DDB1CRBN
Bromoacetic Acid SCHEMBL4940372 0.76 DDB1 (0.41) DDB1CRBNALDH1A1CHRM2OPRM1
SCHEMBL4929916 0.76 CRBN (0.48) DDB1CRBNALDH1A1CHRM2OPRM1
SCHEMBL4939061 0.76 ALDH1A1 (0.46) DDB1CRBNALDH1A1CHRM2OPRM1
Alanine SCHEMBL14142108 0.75 DDB1 (0.40) DDB1CRBNALDH1A1CHRM2OPRM1
SCHEMBL3592001 0.74 ALDH1A1 (0.41) DDB1CRBNALDH1A1CHRM2OPRM1
Diethyl Hydrogen Phosphate SCHEMBL5476334 0.74 L3MBTL1 (0.39) DDB1CRBNALDH1A1CHRM2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293517-A1 Derivatives Of Chemotherapeutic Agents With A Formaldehyde Releasing Moiety RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2007-12-20 US claimed
WO-2005120577-A2 DERIVATIVES OF CHEMOTHERAPEUTIC AGENTS WITH A FORMALDEHYDE RELEASING MOEITY RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2005-12-22 WO claimed
WO-2005120577-A2 DERIVATIVES OF CHEMOTHERAPEUTIC AGENTS WITH A FORMALDEHYDE RELEASING MOEITY RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2005-12-22 WO 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-20070293517-A1 Derivatives Of Chemotherapeutic Agents With A Formaldehyde Releasing Moiety DHFR, FAU, MYD88 DDB1 740/4885CRBN 931/4885ALDH1A1 234/4885

“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.