SCHEMBL22149683

SCHEMBL22149683

BC(B)(B)c1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1

nearest known ligand 0.87

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 19/20 0.87
GABRA1 P14867 2/20 0.79
GABRG2 P18507 1/20 0.79
GABRB3 P28472 1/20 0.79
GABRA3 P34903 1/20 0.79
GABRA2 P47869 1/20 0.79

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
SCHEMBL4157298 0.93 GABRA5 (1.00) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL20778806 0.90 GABRA5 (0.77) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL20778905 0.88 GABRA5 (0.69) GABRA5GABRA1GABRG2GABRB3GABRA3
Basmisanil SCHEMBL2685527 0.88 GABRA5 (1.00) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL536008 0.87 GABRA5 (0.80) GABRA5GABRA1GABRG2GABRB3GABRA3
Basmisanil SCHEMBL15064600 0.87 GABRA5 (0.98) GABRA5GABRA1GABRG2GABRB3GABRA3
Basmisanil SCHEMBL20775357 0.86 GABRA5 (0.89) GABRA5GABRA1GABRG2GABRB3GABRA3
Basmisanil SCHEMBL15064759 0.85 GABRA5 (0.89) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL29323855 0.84 GABRA5 (0.76) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL22149681 0.84 GABRA5 (0.73) GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220396572-A1 Deuterated Alpha5 subunit-selective Negative Allosteric Modulators of Gamma-Aminobutyric Acid Type A Receptors as Fast Acting Treatment for Depression and Mood Disorders THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2022-12-15 US disclosed
US-20200199119-A1 Deuterated Alpha5 subunit-selective Negative Allosteric Modulators of Gamma-Aminobutyric Acid Type A Receptors as Fast Acting Treatment for Depression and Mood Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-06-25 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 (2 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-20200199119-A1 Deuterated Alpha5 subunit-selective Negative Allosteric Modulators of Gamma-Aminobutyric Acid Type A Receptors as Fast Acting Treatment for Depression and Mood Disorders GABRA5, GABRA4, GABRA1 GABRA5 1/4885GABRA1 3/4885GABRG2 15/4885
US-20220396572-A1 Deuterated Alpha5 subunit-selective Negative Allosteric Modulators of Gamma-Aminobutyric Acid Type A Receptors as Fast Acting Treatment for Depression and Mood Disorders GABRA5, GABRA4, GABRA1 GABRA5 1/4885GABRA1 3/4885GABRG2 15/4885

“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.