SCHEMBL14877296

SCHEMBL14877296

Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C#N)cn1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 20/20 0.80
GABRG2 P18507 3/20 0.55
GABRB3 P28472 3/20 0.55
GABRA1 P14867 1/20 0.55
GABRA3 P34903 1/20 0.55
GABRA2 P47869 1/20 0.55
KCNH2 Q12809 1/20 0.53

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
SCHEMBL20774986 0.93 GABRA5 (0.69) GABRA5GABRG2GABRB3GABRA1GABRA3
SCHEMBL14877261 0.89 GABRA5 (0.80) GABRA5
SCHEMBL2931461 0.89 GABRA5 (1.00) GABRA5
SCHEMBL14876997 0.87 GABRA5 (0.77) GABRA5
SCHEMBL20778894 0.84 GABRA5 (0.57) GABRA5
SCHEMBL22150531 0.84 GABRA5 (0.57) GABRA5GABRG2GABRB3GABRA1GABRA3
SCHEMBL2924414 0.83 GABRA5 (0.78) GABRA5GABRG2GABRB3GABRA1GABRA3
SCHEMBL14876821 0.81 GABRA5 (0.77) GABRA5
SCHEMBL28414654 0.81 GABRA5 (0.70) GABRA5GABRG2GABRB3GABRA1GABRA3
SCHEMBL2922234 0.79 GABRA5 (1.00) GABRA5GABRG2GABRB3GABRA1GABRA3

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675845-B1 NOVEL GAMMA AMINOBUTYRIC ACID TYPE A RECEPTOR MODULATORS FOR MOOD DISORDERS UNIV MARYLAND (US) 2024-07-17 EP claimed
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 claimed
WO-2019046300-A9 NOVEL GAMMA AMINOBUTYRIC ACID TYPE A RECEPTOR MODULATORS FOR MOOD DISORDERS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-10-15 WO claimed
EP-3675845-A1 NOVEL GAMMA AMINOBUTYRIC ACID TYPE A RECEPTOR MODULATORS FOR MOOD DISORDERS University of Maryland, Baltimore (US) 2020-07-08 EP claimed
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 claimed
WO-2019046300-A1 NOVEL GAMMA AMINOBUTYRIC ACID TYPE A RECEPTOR MODULATORS FOR MOOD DISORDERS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2019-03-07 WO claimed
EP-2768827-B1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL-METHOXY-NICOTINIC ACIDS HOFFMANN LA ROCHE (CH) 2016-11-23 EP claimed
EP-2768827-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL-METHOXY-NICOTINIC ACIDS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-27 EP claimed
US-8604062-B2 Process for the preparation of isoxazolyl-methoxy nicotinic acids HOFFMAN-LA ROCHE INC. (US) 2013-12-10 US claimed
US-20130102778-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL- METHOXY NICOTINIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US claimed
WO-2013057123-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL-METHOXY-NICOTINIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-25 WO claimed
EP-3675845-B1 NOVEL GAMMA AMINOBUTYRIC ACID TYPE A RECEPTOR MODULATORS FOR MOOD DISORDERS UNIV MARYLAND (US) 2024-07-17 EP disclosed
EP-3675845-B1 NOVEL GAMMA AMINOBUTYRIC ACID TYPE A RECEPTOR MODULATORS FOR MOOD DISORDERS UNIV MARYLAND (US) 2024-07-17 EP disclosed
US-11897875-B2 Deuterated Alpha5 subunit-selective negative allosteric modulators of gamma-aminobutyric acid type a receptors as fast acting treatment for depression and mood disorders UNIVERSITY OF MARYLAND, BALTIMORE (US) 2024-02-13 US disclosed
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-8604062-B2 Process for the preparation of isoxazolyl-methoxy nicotinic acids HOFFMAN-LA ROCHE INC. (US) 2013-12-10 US disclosed
US-20130172329-A1 NOVEL SOLID FORMS HOFFMANN-LA ROCHE INC. (US) 2013-07-04 US disclosed
US-20130102778-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL- METHOXY NICOTINIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US disclosed
WO-2013057124-A1 SOLID FORMS OF 1,L-DIOXO-4-THIOMORPHOLINYL)-[6-[[3(4-FLUOROPHENYL)-5-METHYL-4-ISOXAZOLYL]METHOXY]-3-PYRIDINYL]-METHANONE F. HOFFMANN-LA ROCHE AG (CH) 2013-04-25 WO disclosed
WO-2013057123-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL-METHOXY-NICOTINIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-25 WO 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 (5 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 1/4885GABRG2 15/4885GABRB3 13/4885
US-20130172329-A1 NOVEL SOLID FORMS F12, SLC10A1, CYP2F1 GABRA5 3197/4885GABRG2 3630/4885GABRB3 3470/4885
US-20130102778-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLYL- METHOXY NICOTINIC ACIDS NAPRT, CHRNA1, CHRM1 GABRA5 151/4885GABRG2 512/4885GABRB3 367/4885
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 1/4885GABRG2 15/4885GABRB3 13/4885
US-11897875-B2 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 1/4885GABRG2 15/4885GABRB3 13/4885

“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.