SCHEMBL345833

SCHEMBL345833

CC(C)(C)N(CCC1CNC1)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRB2 P47870 2/20 0.32
SLC6A12 P48065 2/20 0.32
SLC6A11 P48066 2/20 0.32
SLC6A13 Q9NSD5 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRR1 P24046 1/20 0.32
GABRA4 P48169 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
SCHEMBL345654 0.84 GABRA5 (0.38) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL1222696 0.81 SLC6A2 (0.36) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL25406552 0.80 SLC6A2 (0.35) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL27166484 0.75 ITGB3 (0.41) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL17200854 0.74 SSTR4 (0.35)
SCHEMBL854782 0.73 ALDH1A1 (0.31)
SCHEMBL18497604 0.73 SLC6A1 (0.32) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL222367 0.72 SLC6A1 (0.49) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL222368 0.72 SLC6A1 (0.49) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL3613801 0.72 SLC6A1 (0.49) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 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 (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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A SLC6A1 791/4885GABRA5 258/4885GABRB2 606/4885

“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.