SCHEMBL31236271

SCHEMBL31236271

C#Cc1ccc2c(c1)C(c1ccccn1)=N[C@@H](C)c1c(C(=O)OCC)ncn1-2

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA3 P34903 16/20 0.77
GABRG2 P18507 16/20 0.77
GABRB3 P28472 16/20 0.77
GABRA5 P31644 16/20 0.77
GABRA1 P14867 13/20 0.77
GABRA2 P47869 11/20 0.58
GABRA6 Q16445 6/20 0.57
GABRA4 P48169 2/20 0.57
GABRB2 P47870 1/20 0.51

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
SCHEMBL3142451 1.00 GABRA3 (0.77) GABRA3GABRG2GABRB3GABRA5GABRA1
SCHEMBL7723524 1.00 GABRA3 (0.77) GABRA3GABRG2GABRB3GABRA5GABRA1
SCHEMBL13523903 1.00 GABRA3 (0.77) GABRA3GABRG2GABRB3GABRA5GABRA1
SCHEMBL13523906 0.90 GABRA5 (0.62) GABRA3GABRG2GABRB3GABRA5GABRA1
SCHEMBL7726226 0.90 GABRA5 (0.62) GABRA3GABRG2GABRB3GABRA5GABRA1
SCHEMBL3142378 0.90 GABRA5 (0.62) GABRA3GABRG2GABRB3GABRA5GABRA1
SCHEMBL7722541 0.89 GABRA5 (0.80) GABRA3GABRG2GABRB3GABRA5GABRA1
SCHEMBL3142332 0.89 GABRA5 (0.80) GABRA3GABRG2GABRB3GABRA5GABRA1
SCHEMBL7718310 0.89 GABRA5 (0.80) GABRA3GABRG2GABRB3GABRA5GABRA1
SCHEMBL19877937 0.88 GABRA3 (0.66) GABRA3GABRG2GABRB3GABRA5GABRA1

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-20240374612-A1 IMIDAZOBENZODIAZEPINES FOR TREATMENT OF COGNITIVE AND MOOD SYMPTOMS CENTRE FOR ADDICTION AND MENTAL HEALTH (CA) 2024-11-14 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-20240374612-A1 IMIDAZOBENZODIAZEPINES FOR TREATMENT OF COGNITIVE AND MOOD SYMPTOMS GRIN2D, GRIN2C, HTR2C GABRA3 16/4885GABRG2 79/4885GABRB3 36/4885

“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.