SCHEMBL6866680

SCHEMBL6866680

CCOC(=O)c1ncn2c1CNC(=O)c1cc(C(C)C)ccc1-2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 18/20 0.54
GABRB3 P28472 18/20 0.54
GABRA5 P31644 18/20 0.54
GABRA1 P14867 10/20 0.54
GABRA3 P34903 10/20 0.54
GABRA2 P47869 10/20 0.54
GABRA6 Q16445 6/20 0.54
GABRB2 P47870 5/20 0.52
GABRA4 P48169 3/20 0.52
MEN1 O00255 1/20 0.52
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
GABRB1 P18505 1/20 0.52
CYP2C19 P33261 1/20 0.52
GABRE P78334 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL7043911 0.91 GABRG2 (0.49) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL6870825 0.88 GABRG2 (0.63) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL6867089 0.87 GABRG2 (0.70) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL29618010 0.86 GABRG2 (0.69) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL30661077 0.86 GABRG2 (0.69) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL18329262 0.86 GABRG2 (0.69) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7330808 0.86 GABRG2 (0.69) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL6873122 0.85 GABRG2 (0.65) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9260791 0.83 GABRG2 (0.67) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL6870854 0.80 GABRG2 (0.57) GABRG2GABRB3GABRA5GABRA1GABRA3

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
EP-1337535-B1 BENZODIAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2004-06-09 EP disclosed
US-6743789-B2 SUBSTITUTED IMIDAZO (1,5-A) (1,2,4) TRIAZOLO (4,3-D) (1,4) BENZODIAZEPINE DERIVATIVES ARE USEFUL FOR TREATING ALZHEIMER'S DISEASE; REACTING A BEZODIAZEPINE DERIVATIVE WITH A HYDRAZIDE DERIVATIVE TO FORM END PRODUCT HOFFMANN-LA ROCHE INC. 2004-06-01 US disclosed
US-20020103371-A1 Substituted imidazo [1,5-a] [1,2,4] triazolo [4,3-d] [1,4] benzodiazepine derivatives HOFFMANN-LA ROCHE INC. 2002-08-01 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-20020103371-A1 Substituted imidazo [1,5-a] [1,2,4] triazolo [4,3-d] [1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 GABRG2 15/4885GABRB3 11/4885GABRA5 1/4885

“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.