SCHEMBL22493906

SCHEMBL22493906

[2H]C1([2H])[C@@H](N)C[C@@H](C(=O)O)C1(F)F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.33
SLC6A4 P31645 1/20 0.32

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
SCHEMBL22500876 0.79 SLC6A4 (0.38) GABRR1SLC6A4
SCHEMBL22493943 0.79 SLC6A4 (0.38) GABRR1SLC6A4
Hydrochloric Acid SCHEMBL22493932 0.78 SLC6A4 (0.37) GABRR1SLC6A4
SCHEMBL301120 0.65
SCHEMBL1173556 0.65
SCHEMBL12473695 0.65
Hydrochloric Acid SCHEMBL11821301 0.63
Bromide SCHEMBL11824101 0.63
SCHEMBL22519005 0.63 CHRNB2 (0.36) SLC6A4
SCHEMBL24868049 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078153-B2 2-difluoro substituted 4-aminocyclopentanecarboxylic acids as inhibitors of gamma-aminobutyric acid aminotransferase and human ornithine aminotransferase NORTHWESTERN UNIVERSITY (US) 2021-08-03 US disclosed
US-20200317606-A1 2-DIFLUORO SUBSTITUTED 4-AMINOCYCLOPENTANECARBOXYLIC ACIDS AS INHIBITORS OF GAMMA-AMINOBUTYRIC ACID AMINOTRANSFERASE AND HUMAN ORNITHINE AMINOTRANSFERASE NORTHWESTERN UNIVERSITY (US) 2020-10-08 US 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 (2 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-11078153-B2 2-difluoro substituted 4-aminocyclopentanecarboxylic acids as inhibitors of gamma-aminobutyric acid aminotransferase and human ornithine aminotransferase OAT, OTC, SLC6A13 GABRR1 53/4885SLC6A4 226/4885
US-20200317606-A1 2-DIFLUORO SUBSTITUTED 4-AMINOCYCLOPENTANECARBOXYLIC ACIDS AS INHIBITORS OF GAMMA-AMINOBUTYRIC ACID AMINOTRANSFERASE AND HUMAN ORNITHINE AMINOTRANSFERASE OAT, OTC, SLC6A13 GABRR1 53/4885SLC6A4 226/4885

“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.