SCHEMBL31209045

SCHEMBL31209045

CN(C)C(=O)C[C@H]1CCNC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.60
GABRA5 P31644 2/20 0.60
GABRB2 P47870 2/20 0.60
SLC6A12 P48065 2/20 0.60
SLC6A11 P48066 2/20 0.60
SLC6A13 Q9NSD5 2/20 0.60
GABRA1 P14867 1/20 0.60
GABRR1 P24046 1/20 0.60
GABRA4 P48169 1/20 0.60
USP30 Q70CQ3 1/20 0.43
DPP4 P27487 1/20 0.37
EPHX1 P07099 2/20 0.36
SLC6A4 P31645 5/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A3 Q01959 3/20 0.35
ALOX15 P16050 1/20 0.33
CPN1 P15169 2/20 0.33
CPB2 Q96IY4 2/20 0.33

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
SCHEMBL34474601 1.00 SLC6A1 (0.60) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL3561216 1.00 SLC6A1 (0.60) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL26106582 0.98 SLC6A1 (0.58) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL9731779 0.89 SLC6A1 (0.47) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL2914574 0.88 SLC6A1 (0.44) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL9732660 0.88 GABRA5 (0.44) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL27094462 0.86 GABRA5 (0.42) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL18505910 0.84 SLC6A1 (0.38) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL23182186 0.78
SCHEMBL24690885 0.78

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-20240368193-A1 KRAS INHIBITORS ELI LILLY AND COMPANY 2024-11-07 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-20240368193-A1 KRAS INHIBITORS KRAS, NRAS, HRAS SLC6A1 3714/4885GABRA5 2993/4885GABRB2 4083/4885

“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.