SCHEMBL14215364

SCHEMBL14215364

C#Cc1ccc2c(c1)C(c1ccccc1)=NCc1c(C(=O)OCCOCCOC(=O)c3ncn4c3CN=C(c3ccccc3)c3ccccc3-4)ncn1-2

nearest known ligand 0.95

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 18/20 0.95
GABRB3 P28472 18/20 0.95
GABRA5 P31644 14/20 0.95
GABRA2 P47869 10/20 0.95
GABRA1 P14867 9/20 0.95
GABRA6 Q16445 4/20 0.95
GABRA3 P34903 14/20 0.84
GABRA4 P48169 3/20 0.79
GABRB2 P47870 4/20 0.58

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
SCHEMBL7718010 0.97 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL14573786 0.93 GABRG2 (0.90) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL7725966 0.91 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL7721547 0.91 GABRG2 (0.95) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL8361068 0.89 GABRG2 (0.75) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL638718 0.88 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL13966617 0.86 GABRG2 (0.83) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL7721552 0.86 GABRG2 (0.79) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL4990402 0.86 GABRG2 (0.80) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL8352864 0.85 GABRG2 (0.77) GABRG2GABRB3GABRA5GABRA2GABRA1

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-20080108605-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2008-05-08 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 (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-20080108605-A1 ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS GABRA3, GABRA2, GABRA1 GABRG2 14/4885GABRB3 7/4885GABRA5 6/4885

“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.