SCHEMBL1776181

SCHEMBL1776181

Cc1onc(-c2ccc(Cl)cn2)c1COc1ccc(C(=O)O)nn1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 12/20 0.73
ITGA5 P08648 3/20 0.69
GABRA1 P14867 6/20 0.54

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
SCHEMBL30592832 0.89 ITGA5 (0.66) GABRA5ITGA5GABRA1
SCHEMBL1777090 0.89 ITGA5 (0.66) GABRA5ITGA5GABRA1
SCHEMBL1776581 0.88 GABRA5 (0.73) GABRA5ITGA5GABRA1
SCHEMBL1777400 0.85 GABRA5 (0.66) GABRA5ITGA5GABRA1
SCHEMBL2922366 0.84 GABRA5 (1.00) GABRA5ITGA5
SCHEMBL2921206 0.83 GABRA5 (0.71) GABRA5ITGA5GABRA1
SCHEMBL1776663 0.82 GABRA5 (0.63) GABRA5ITGA5GABRA1
SCHEMBL30592860 0.82 ITGA5 (1.00) GABRA5ITGA5GABRA1
SCHEMBL20240954 0.82 ITGA5 (1.00) GABRA5ITGA5GABRA1
SCHEMBL1776894 0.81 GABRA5 (0.53) GABRA5ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231651-B1 ISOXAZOLO-PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-11-21 EP claimed
US-7943619-B2 Isoxazolo-pyridazine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-17 US claimed
EP-2231651-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-29 EP claimed
WO-2009071477-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO claimed
US-20090143385-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US claimed
CN-117285525-A Novel isoxazolyl ether derivatives as GABAA alpha 5PAM 豪夫迈·罗氏有限公司 2023-12-26 CN disclosed
CN-109923113-B Isoxazolyl ether derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2023-10-13 CN disclosed
US-11091471-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2021-08-17 US disclosed
US-20190300516-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2019-10-03 US disclosed
EP-2231651-B1 ISOXAZOLO-PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-11-21 EP disclosed
US-7943619-B2 Isoxazolo-pyridazine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-17 US disclosed
EP-2231651-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
WO-2009071477-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO disclosed
US-20090143385-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 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 (3 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-20090143385-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES GABRA5, CHRNA5, GABRA1 GABRA5 1/4885ITGA5 229/4885GABRA1 3/4885
US-20190300516-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB1, GABRA1 GABRA5 1/4885ITGA5 737/4885GABRA1 3/4885
US-11091471-B2 Isoxazolyl ether derivatives as GABAA α5 PAM GABRA5, GABRA1, GABRA3 GABRA5 1/4885ITGA5 210/4885GABRA1 2/4885

“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.